N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine

C124H82N2S2 — CID 163630464

IUPACN,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1
InChIInChI=1S/C65H43NS.C59H39NS/c1-4-15-44(16-5-1)47-27-32-54(33-28-47)66(55-34-29-48(30-35-55)45-17-6-2-7-18-45)56-36-38-59-58-37-31-53(42-63(58)67-64(59)43-56)65(52-24-14-23-49(39-52)46-19-8-3-9-20-46)61-26-13-12-25-57(61)60-40-50-21-10-11-22-51(50)41-62(60)65;1-4-15-40(16-5-1)42-27-30-49(31-28-42)60(48-23-8-3-9-24-48)50-32-34-53-52-33-29-47(38-57(52)61-58(53)39-50)59(46-22-14-21-43(35-46)41-17-6-2-7-18-41)55-26-13-12-25-51(55)54-36-44-19-10-11-20-45(44)37-56(54)59/h1-43H;1-39H
InChIKeyHVPTZANKJXPFKG-UHFFFAOYSA-N
MW1664.17 g/mol
LogP34.42
Rot. Bonds15

About N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine

N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine (PubChem CID 163630464) has the molecular formula C124H82N2S2 and a molecular weight of 1664.17 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
PubChem CID163630464
Molecular FormulaC124H82N2S2
Molecular Weight1664.17 g/mol
Exact Mass1662.59
IUPAC NameN,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1
InChIInChI=1S/C65H43NS.C59H39NS/c1-4-15-44(16-5-1)47-27-32-54(33-28-47)66(55-34-29-48(30-35-55)45-17-6-2-7-18-45)56-36-38-59-58-37-31-53(42-63(58)67-64(59)43-56)65(52-24-14-23-49(39-52)46-19-8-3-9-20-46)61-26-13-12-25-57(61)60-40-50-21-10-11-22-51(50)41-62(60)65;1-4-15-40(16-5-1)42-27-30-49(31-28-42)60(48-23-8-3-9-24-48)50-32-34-53-52-33-29-47(38-57(52)61-58(53)39-50)59(46-22-14-21-43(35-46)41-17-6-2-7-18-41)55-26-13-12-25-51(55)54-36-44-19-10-11-20-45(44)37-56(54)59/h1-43H;1-39H
InChIKeyHVPTZANKJXPFKG-UHFFFAOYSA-N
XLogP34.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001664.17
LogP ≤ 534.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163830866
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-dibenzofuran-3-yl-N-phenyl-8-(11-phenylbenzo[b]fluoren-11-yl)dibenzofuran-3-amine;7-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-N-[9-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]dibenzofuran-3-amine
CID 163560828
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine (CID 163630464) is N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc(C5(c6cccc(-c7ccccc7)c6)c6ccccc6-c6cc7ccccc7cc65)ccc34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine?
The InChIKey is HVPTZANKJXPFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS.C59H39NS/c1-4-15-44(16-5-1)47-27-32-54(33-28-47)66(55-34-29-48(30-35-55)45-17-6-2-7-18-45)56-36-38-59-58-37-31-53(42-63(58)67-64(59)43-56)65(52-24-14-23-49(39-52)46-19-8-3-9-20-46)61-26-13-12-25-57(61)60-40-50-21-10-11-22-51(50)41-62(60)65;1-4-15-40(16-5-1)42-27-30-49(31-28-42)60(48-23-8-3-9-24-48)50-32-34-53-52-33-29-47(38-57(52)61-58(53)39-50)59(46-22-14-21-43(35-46)41-17-6-2-7-18-41)55-26-13-12-25-51(55)54-36-44-19-10-11-20-45(44)37-56(54)59/h1-43H;1-39H.
What are the key properties of N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine?
N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine has a molecular weight of 1664.17 g/mol, XLogP of 34.42, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 163630464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).