N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine

C177H119N9S2 — CID 158675662

IUPACN-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5N(c5ccc6c(c5)sc5ccccc56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C66H43N3S.C57H41N3.C54H35N3S/c1-4-18-44(19-5-1)47-38-48(45-20-6-2-7-21-45)40-52(39-47)69-62-30-16-12-25-54(62)56-35-32-46(41-63(56)69)53-24-10-14-28-60(53)67(51-34-37-59-58-27-13-17-31-65(58)70-66(59)43-51)50-33-36-57-55-26-11-15-29-61(55)68(64(57)42-50)49-22-8-3-9-23-49;1-57(2)50-25-13-9-22-44(50)45-33-30-41(36-51(45)57)58(42-31-34-49-47-24-12-16-28-54(47)60(56(49)37-42)40-19-7-4-8-20-40)52-26-14-10-21-43(52)38-29-32-48-46-23-11-15-27-53(46)59(55(48)35-38)39-17-5-3-6-18-39;1-3-15-37(16-4-1)55(40-28-31-45-43-21-8-12-24-49(43)56(52(45)35-40)38-17-5-2-6-18-38)48-23-11-7-19-41(48)36-27-30-44-42-20-9-13-25-50(42)57(51(44)33-36)39-29-32-54-47(34-39)46-22-10-14-26-53(46)58-54/h1-43H;3-37H,1-2H3;1-35H
InChIKeyIEMHQICEJMZKFV-UHFFFAOYSA-N
MW2436.10 g/mol
LogP49.43
Rot. Bonds20

About N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine

N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine (PubChem CID 158675662) has the molecular formula C177H119N9S2 and a molecular weight of 2436.10 g/mol. Its IUPAC name is N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
PubChem CID158675662
Molecular FormulaC177H119N9S2
Molecular Weight2436.10 g/mol
Exact Mass2433.90
IUPAC NameN-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5N(c5ccc6c(c5)sc5ccccc56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C66H43N3S.C57H41N3.C54H35N3S/c1-4-18-44(19-5-1)47-38-48(45-20-6-2-7-21-45)40-52(39-47)69-62-30-16-12-25-54(62)56-35-32-46(41-63(56)69)53-24-10-14-28-60(53)67(51-34-37-59-58-27-13-17-31-65(58)70-66(59)43-51)50-33-36-57-55-26-11-15-29-61(55)68(64(57)42-50)49-22-8-3-9-23-49;1-57(2)50-25-13-9-22-44(50)45-33-30-41(36-51(45)57)58(42-31-34-49-47-24-12-16-28-54(47)60(56(49)37-42)40-19-7-4-8-20-40)52-26-14-10-21-43(52)38-29-32-48-46-23-11-15-27-53(46)59(55(48)35-38)39-17-5-3-6-18-39;1-3-15-37(16-4-1)55(40-28-31-45-43-21-8-12-24-49(43)56(52(45)35-40)38-17-5-2-6-18-38)48-23-11-7-19-41(48)36-27-30-44-42-20-9-13-25-50(42)57(51(44)33-36)39-29-32-54-47(34-39)46-22-10-14-26-53(46)58-54/h1-43H;3-37H,1-2H3;1-35H
InChIKeyIEMHQICEJMZKFV-UHFFFAOYSA-N
XLogP49.43
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002436.10
LogP ≤ 549.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 159135474
3-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzothiol-3-amine;1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-2-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158891210
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine
CID 158622482
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
5-(4-dibenzothiophen-2-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N,N,9-triphenylcarbazol-3-amine;5'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 161353306
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 71038398
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
CID 118333317

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine (CID 158675662) is N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5N(c5ccc6c(c5)sc5ccccc56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine?
The InChIKey is IEMHQICEJMZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3S.C57H41N3.C54H35N3S/c1-4-18-44(19-5-1)47-38-48(45-20-6-2-7-21-45)40-52(39-47)69-62-30-16-12-25-54(62)56-35-32-46(41-63(56)69)53-24-10-14-28-60(53)67(51-34-37-59-58-27-13-17-31-65(58)70-66(59)43-51)50-33-36-57-55-26-11-15-29-61(55)68(64(57)42-50)49-22-8-3-9-23-49;1-57(2)50-25-13-9-22-44(50)45-33-30-41(36-51(45)57)58(42-31-34-49-47-24-12-16-28-54(47)60(56(49)37-42)40-19-7-4-8-20-40)52-26-14-10-21-43(52)38-29-32-48-46-23-11-15-27-53(46)59(55(48)35-38)39-17-5-3-6-18-39;1-3-15-37(16-4-1)55(40-28-31-45-43-21-8-12-24-49(43)56(52(45)35-40)38-17-5-2-6-18-38)48-23-11-7-19-41(48)36-27-30-44-42-20-9-13-25-50(42)57(51(44)33-36)39-29-32-54-47(34-39)46-22-10-14-26-53(46)58-54/h1-43H;3-37H,1-2H3;1-35H.
What are the key properties of N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine?
N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine has a molecular weight of 2436.10 g/mol, XLogP of 49.43, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 158675662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).