3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane

C195H147N13 — CID 157126861

IUPAC3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane
SMILESC.C.C.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)CN(c1ccccc1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)c2)cc1.c1ccc(N2Cc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3C2)cc1
InChIInChI=1S/C50H36N2.C49H35N3.C48H34N4.C45H30N4.3CH4/c1-4-14-35(15-5-1)39-28-40(36-16-6-2-7-17-36)30-41(29-39)37-24-25-38-33-51(43-18-8-3-9-19-43)34-42-31-44(26-27-45(42)48(38)32-37)52-49-22-12-10-20-46(49)47-21-11-13-23-50(47)52;1-4-14-34(15-5-1)46-30-38(31-47(50-46)35-16-6-2-7-17-35)36-24-25-37-32-51(40-18-8-3-9-19-40)33-39-28-41(26-27-42(39)45(37)29-36)52-48-22-12-10-20-43(48)44-21-11-13-23-49(44)52;1-2-12-41(13-3-1)51-31-36-19-18-33(37-24-38(34-10-8-22-49-29-34)26-39(25-37)35-11-9-23-50-30-35)28-46(36)43-21-20-42(27-40(43)32-51)52-47-16-6-4-14-44(47)45-15-5-7-17-48(45)52;1-46-32-20-24-45-41(26-32)39-15-7-10-18-44(39)48(45)34-22-23-36-31(25-34)29-47(33-11-3-2-4-12-33)28-30-19-21-35(27-40(30)36)49-42-16-8-5-13-37(42)38-14-6-9-17-43(38)49;;;/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;2-27H,28-29H2;3*1H4
InChIKeyAIPKESYCQWWVDF-UHFFFAOYSA-N
MW2672.41 g/mol
LogP50.63
Rot. Bonds18

About 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane

3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane (PubChem CID 157126861) has the molecular formula C195H147N13 and a molecular weight of 2672.41 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane.

Molecular Properties

Compound Name3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane
PubChem CID157126861
Molecular FormulaC195H147N13
Molecular Weight2672.41 g/mol
Exact Mass2670.19
IUPAC Name3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane
SMILESC.C.C.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)CN(c1ccccc1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)c2)cc1.c1ccc(N2Cc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3C2)cc1
InChIInChI=1S/C50H36N2.C49H35N3.C48H34N4.C45H30N4.3CH4/c1-4-14-35(15-5-1)39-28-40(36-16-6-2-7-17-36)30-41(29-39)37-24-25-38-33-51(43-18-8-3-9-19-43)34-42-31-44(26-27-45(42)48(38)32-37)52-49-22-12-10-20-46(49)47-21-11-13-23-50(47)52;1-4-14-34(15-5-1)46-30-38(31-47(50-46)35-16-6-2-7-17-35)36-24-25-37-32-51(40-18-8-3-9-19-40)33-39-28-41(26-27-42(39)45(37)29-36)52-48-22-12-10-20-43(48)44-21-11-13-23-49(44)52;1-2-12-41(13-3-1)51-31-36-19-18-33(37-24-38(34-10-8-22-49-29-34)26-39(25-37)35-11-9-23-50-30-35)28-46(36)43-21-20-42(27-40(43)32-51)52-47-16-6-4-14-44(47)45-15-5-7-17-48(45)52;1-46-32-20-24-45-41(26-32)39-15-7-10-18-44(39)48(45)34-22-23-36-31(25-34)29-47(33-11-3-2-4-12-33)28-30-19-21-35(27-40(30)36)49-42-16-8-5-13-37(42)38-14-6-9-17-43(38)49;;;/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;2-27H,28-29H2;3*1H4
InChIKeyAIPKESYCQWWVDF-UHFFFAOYSA-N
XLogP50.63
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.41
LogP ≤ 550.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane?
The IUPAC name of 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane (CID 157126861) is 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane.
What is the SMILES notation for 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane?
The canonical SMILES for 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane is C.C.C.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)CN(c1ccccc1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CN(c3ccccc3)C4)c2)cc1.c1ccc(N2Cc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3C2)cc1.
What is the InChIKey of 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane?
The InChIKey is AIPKESYCQWWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2.C49H35N3.C48H34N4.C45H30N4.3CH4/c1-4-14-35(15-5-1)39-28-40(36-16-6-2-7-17-36)30-41(29-39)37-24-25-38-33-51(43-18-8-3-9-19-43)34-42-31-44(26-27-45(42)48(38)32-37)52-49-22-12-10-20-46(49)47-21-11-13-23-50(47)52;1-4-14-34(15-5-1)46-30-38(31-47(50-46)35-16-6-2-7-17-35)36-24-25-37-32-51(40-18-8-3-9-19-40)33-39-28-41(26-27-42(39)45(37)29-36)52-48-22-12-10-20-43(48)44-21-11-13-23-49(44)52;1-2-12-41(13-3-1)51-31-36-19-18-33(37-24-38(34-10-8-22-49-29-34)26-39(25-37)35-11-9-23-50-30-35)28-46(36)43-21-20-42(27-40(43)32-51)52-47-16-6-4-14-44(47)45-15-5-7-17-48(45)52;1-46-32-20-24-45-41(26-32)39-15-7-10-18-44(39)48(45)34-22-23-36-31(25-34)29-47(33-11-3-2-4-12-33)28-30-19-21-35(27-40(30)36)49-42-16-8-5-13-37(42)38-14-6-9-17-43(38)49;;;/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;2-27H,28-29H2;3*1H4.
What are the key properties of 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane?
3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane has a molecular weight of 2672.41 g/mol, XLogP of 50.63, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10-(3,5-diphenylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;3-carbazol-9-yl-10-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;10-carbazol-9-yl-3-(3-isocyanocarbazol-9-yl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine;methane is sourced from PubChem (CID 157126861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).