7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine

C236H154N36O2S2 — CID 165077203

IUPAC7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine
SMILESC1=Cc2ccccc2N(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C=Cc6ccccc65)nc4c3n2)c2ccccc21.c1ccc(N(c2ccccc2)c2cnc3c(c2)c2nccnc2c2cc(N(c4ccccc4)c4ccccc4)cnc23)cc1.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.c1ccc2c(c1)Sc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Sc4ccccc43)cnc12.c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4ccccc43)cnc12.c1cncc(-c2nccnc2-c2cccnc2)c1
InChIInChI=1S/C42H26N6.C38H22N6O2.C38H22N6S2.C38H22N6.C38H26N6.C14H10N4.2C14H13N/c1-5-13-33-27(9-1)17-18-28-10-2-6-14-34(28)47(33)37-23-21-31-39-40(44-26-25-43-39)32-22-24-38(46-42(32)41(31)45-37)48-35-15-7-3-11-29(35)19-20-30-12-4-8-16-36(30)48;2*1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)43(31)23-19-29-35-36(40-18-17-39-35)30-20-24(22-42-38(30)37(29)41-21-23)44-33-15-7-3-11-27(33)28-12-4-8-16-34(28)44;1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)31-23-33-35-36(40-22-21-39-35)34-24-32(26-42-38(34)37(33)41-25-31)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-11(9-15-5-1)13-14(18-8-7-17-13)12-4-2-6-16-10-12;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-26H;2*1-22H;1-22H;1-26H;1-10H;2*1-8,15H,9-10H2
InChIKeyUMUPPJUBZJTLKY-UHFFFAOYSA-N
MW3590.21 g/mol
LogP59.35
Rot. Bonds16

About 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine

7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine (PubChem CID 165077203) has the molecular formula C236H154N36O2S2 and a molecular weight of 3590.21 g/mol. Its IUPAC name is 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine.

Molecular Properties

Compound Name7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine
PubChem CID165077203
Molecular FormulaC236H154N36O2S2
Molecular Weight3590.21 g/mol
Exact Mass3587.25
IUPAC Name7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine
SMILESC1=Cc2ccccc2N(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C=Cc6ccccc65)nc4c3n2)c2ccccc21.c1ccc(N(c2ccccc2)c2cnc3c(c2)c2nccnc2c2cc(N(c4ccccc4)c4ccccc4)cnc23)cc1.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.c1ccc2c(c1)Sc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Sc4ccccc43)cnc12.c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4ccccc43)cnc12.c1cncc(-c2nccnc2-c2cccnc2)c1
InChIInChI=1S/C42H26N6.C38H22N6O2.C38H22N6S2.C38H22N6.C38H26N6.C14H10N4.2C14H13N/c1-5-13-33-27(9-1)17-18-28-10-2-6-14-34(28)47(33)37-23-21-31-39-40(44-26-25-43-39)32-22-24-38(46-42(32)41(31)45-37)48-35-15-7-3-11-29(35)19-20-30-12-4-8-16-36(30)48;2*1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)43(31)23-19-29-35-36(40-18-17-39-35)30-20-24(22-42-38(30)37(29)41-21-23)44-33-15-7-3-11-27(33)28-12-4-8-16-34(28)44;1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)31-23-33-35-36(40-22-21-39-35)34-24-32(26-42-38(34)37(33)41-25-31)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-11(9-15-5-1)13-14(18-8-7-17-13)12-4-2-6-16-10-12;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-26H;2*1-22H;1-22H;1-26H;1-10H;2*1-8,15H,9-10H2
InChIKeyUMUPPJUBZJTLKY-UHFFFAOYSA-N
XLogP59.35
TPSA387.66 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003590.21
LogP ≤ 559.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-(5-carbazol-9-yl-3-pyridinyl)phenyl]carbazole;5-(4-carbazol-9-ylphenyl)-N,N-diphenylpyridin-3-amine;5-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylpyridin-3-amine;10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
CID 160893113
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
CID 129089164
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
CID 129089173
3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
CID 118912242
11,12-bis[6-(9H-acridin-10-yl)-2-pyridinyl]indolo[2,3-a]carbazole;10-[6-[12-(6-phenothiazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenothiazine;10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine
CID 158181653
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine
CID 145233410
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961

Frequently Asked Questions

What is the IUPAC name of 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?
The IUPAC name of 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine (CID 165077203) is 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine.
What is the SMILES notation for 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?
The canonical SMILES for 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine is C1=Cc2ccccc2N(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C=Cc6ccccc65)nc4c3n2)c2ccccc21.c1ccc(N(c2ccccc2)c2cnc3c(c2)c2nccnc2c2cc(N(c4ccccc4)c4ccccc4)cnc23)cc1.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.c1ccc2c(c1)Sc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Sc4ccccc43)cnc12.c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4ccccc43)cnc12.c1cncc(-c2nccnc2-c2cccnc2)c1.
What is the InChIKey of 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?
The InChIKey is UMUPPJUBZJTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6.C38H22N6O2.C38H22N6S2.C38H22N6.C38H26N6.C14H10N4.2C14H13N/c1-5-13-33-27(9-1)17-18-28-10-2-6-14-34(28)47(33)37-23-21-31-39-40(44-26-25-43-39)32-22-24-38(46-42(32)41(31)45-37)48-35-15-7-3-11-29(35)19-20-30-12-4-8-16-36(30)48;2*1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)43(31)23-19-29-35-36(40-18-17-39-35)30-20-24(22-42-38(30)37(29)41-21-23)44-33-15-7-3-11-27(33)28-12-4-8-16-34(28)44;1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)31-23-33-35-36(40-22-21-39-35)34-24-32(26-42-38(34)37(33)41-25-31)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-11(9-15-5-1)13-14(18-8-7-17-13)12-4-2-6-16-10-12;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-26H;2*1-22H;1-22H;1-26H;1-10H;2*1-8,15H,9-10H2.
What are the key properties of 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?
7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine has a molecular weight of 3590.21 g/mol, XLogP of 59.35, 16 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-bis(benzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine is sourced from PubChem (CID 165077203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).