3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C161H105N5S4 — CID 158744697

IUPAC3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C43H31N.C42H30N2.C42H24S3.C34H20N2S/c1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-12-31(13-5-1)32-20-25-37(26-21-32)43(35-14-6-2-7-15-35)38-27-22-33(23-28-38)34-24-29-42-40(30-34)39-18-10-11-19-41(39)44(42)36-16-8-3-9-17-36;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;1-3-14-27-24(11-1)25-12-2-4-15-28(25)33-32(27)35-20-30(36-33)22-10-7-9-21(19-22)23-16-8-17-29-26-13-5-6-18-31(26)37-34(23)29/h1-31H;1-30H;1-24H;1-20H
InChIKeyIMSVSTYWPWJYEA-UHFFFAOYSA-N
MW2237.91 g/mol
LogP46.20
Rot. Bonds17

About 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 158744697) has the molecular formula C161H105N5S4 and a molecular weight of 2237.91 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID158744697
Molecular FormulaC161H105N5S4
Molecular Weight2237.91 g/mol
Exact Mass2235.73
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C43H31N.C42H30N2.C42H24S3.C34H20N2S/c1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-12-31(13-5-1)32-20-25-37(26-21-32)43(35-14-6-2-7-15-35)38-27-22-33(23-28-38)34-24-29-42-40(30-34)39-18-10-11-19-41(39)44(42)36-16-8-3-9-17-36;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;1-3-14-27-24(11-1)25-12-2-4-15-28(25)33-32(27)35-20-30(36-33)22-10-7-9-21(19-22)23-16-8-17-29-26-13-5-6-18-31(26)37-34(23)29/h1-31H;1-30H;1-24H;1-20H
InChIKeyIMSVSTYWPWJYEA-UHFFFAOYSA-N
XLogP46.20
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002237.91
LogP ≤ 546.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline with MolForge

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Related Compounds

4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158490369
CID 161406446
CID 161406446
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-(4-dibenzothiophen-4-ylphenyl)-4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N-phenylaniline
CID 89492150
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
3-(7-dibenzothiophen-4-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410378
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
3-[3-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410375

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 158744697) is 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is IMSVSTYWPWJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N.C42H30N2.C42H24S3.C34H20N2S/c1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-12-31(13-5-1)32-20-25-37(26-21-32)43(35-14-6-2-7-15-35)38-27-22-33(23-28-38)34-24-29-42-40(30-34)39-18-10-11-19-41(39)44(42)36-16-8-3-9-17-36;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;1-3-14-27-24(11-1)25-12-2-4-15-28(25)33-32(27)35-20-30(36-33)22-10-7-9-21(19-22)23-16-8-17-29-26-13-5-6-18-31(26)37-34(23)29/h1-31H;1-30H;1-24H;1-20H.
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 2237.91 g/mol, XLogP of 46.20, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 158744697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).