N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

C146H100N4S2 — CID 167548855

IUPACN-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)CC7)cc5)c5ccc6ccccc6c5)cc4)c3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C66H46N2.C44H29NS.C36H25NS/c1-3-10-45(11-4-1)57-29-38-65-63(43-57)64-44-58(46-12-5-2-6-13-46)30-39-66(64)68(65)61-35-26-50(27-36-61)53-17-9-16-52(40-53)49-22-31-59(32-23-49)67(62-37-28-47-14-7-8-15-54(47)42-62)60-33-24-51(25-34-60)56-21-19-48-18-20-55(48)41-56;1-3-13-37-30(9-1)11-7-16-39(37)32-19-23-34(24-20-32)45(36-27-28-44-42(29-36)41-15-5-6-18-43(41)46-44)35-25-21-33(22-26-35)40-17-8-12-31-10-2-4-14-38(31)40;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-17,19,21-44H,18,20H2;1-29H;1-25H
InChIKeyCDPCBACBYWSKIB-UHFFFAOYSA-N
MW1974.57 g/mol
LogP41.86
Rot. Bonds19

About N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 167548855) has the molecular formula C146H100N4S2 and a molecular weight of 1974.57 g/mol. Its IUPAC name is N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID167548855
Molecular FormulaC146H100N4S2
Molecular Weight1974.57 g/mol
Exact Mass1972.74
IUPAC NameN-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)CC7)cc5)c5ccc6ccccc6c5)cc4)c3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C66H46N2.C44H29NS.C36H25NS/c1-3-10-45(11-4-1)57-29-38-65-63(43-57)64-44-58(46-12-5-2-6-13-46)30-39-66(64)68(65)61-35-26-50(27-36-61)53-17-9-16-52(40-53)49-22-31-59(32-23-49)67(62-37-28-47-14-7-8-15-54(47)42-62)60-33-24-51(25-34-60)56-21-19-48-18-20-55(48)41-56;1-3-13-37-30(9-1)11-7-16-39(37)32-19-23-34(24-20-32)45(36-27-28-44-42(29-36)41-15-5-6-18-43(41)46-44)35-25-21-33(22-26-35)40-17-8-12-31-10-2-4-14-38(31)40;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-17,19,21-44H,18,20H2;1-29H;1-25H
InChIKeyCDPCBACBYWSKIB-UHFFFAOYSA-N
XLogP41.86
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001974.57
LogP ≤ 541.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-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-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-3-naphthalen-2-yl-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 158502718
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (CID 167548855) is N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)CC7)cc5)c5ccc6ccccc6c5)cc4)c3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is CDPCBACBYWSKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2.C44H29NS.C36H25NS/c1-3-10-45(11-4-1)57-29-38-65-63(43-57)64-44-58(46-12-5-2-6-13-46)30-39-66(64)68(65)61-35-26-50(27-36-61)53-17-9-16-52(40-53)49-22-31-59(32-23-49)67(62-37-28-47-14-7-8-15-54(47)42-62)60-33-24-51(25-34-60)56-21-19-48-18-20-55(48)41-56;1-3-13-37-30(9-1)11-7-16-39(37)32-19-23-34(24-20-32)45(36-27-28-44-42(29-36)41-15-5-6-18-43(41)46-44)35-25-21-33(22-26-35)40-17-8-12-31-10-2-4-14-38(31)40;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-17,19,21-44H,18,20H2;1-29H;1-25H.
What are the key properties of N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 1974.57 g/mol, XLogP of 41.86, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 167548855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).