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

C147H103N7S — CID 158891210

IUPAC3-[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
SMILESCC1(C)c2ccccc2-c2cc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C54H35N3.C54H39N3.C39H29NS/c1-3-15-40(16-4-1)55-51-25-13-9-21-45(51)47-34-36(27-29-53(47)55)38-31-39(33-42(32-38)57-49-23-11-7-19-43(49)44-20-8-12-24-50(44)57)37-28-30-54-48(35-37)46-22-10-14-26-52(46)56(54)41-17-5-2-6-18-41;1-6-18-40(19-7-1)41-30-33-48(34-31-41)56(46-24-12-4-13-25-46)50-37-43(36-49(39-50)55(44-20-8-2-9-21-44)45-22-10-3-11-23-45)42-32-35-52-51-28-16-17-29-53(51)57(54(52)38-42)47-26-14-5-15-27-47;1-39(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)39)32-22-21-30(23-37(32)41-38)40(28-13-7-4-8-14-28)29-19-17-27(18-20-29)26-11-5-3-6-12-26/h1-35H;1-39H;3-25H,1-2H3
InChIKeyJEGJPJJEOFBPML-UHFFFAOYSA-N
MW1999.56 g/mol
LogP40.87
Rot. Bonds18

About 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

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 (PubChem CID 158891210) has the molecular formula C147H103N7S and a molecular weight of 1999.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158891210
Molecular FormulaC147H103N7S
Molecular Weight1999.56 g/mol
Exact Mass1997.80
IUPAC Name3-[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
SMILESCC1(C)c2ccccc2-c2cc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C54H35N3.C54H39N3.C39H29NS/c1-3-15-40(16-4-1)55-51-25-13-9-21-45(51)47-34-36(27-29-53(47)55)38-31-39(33-42(32-38)57-49-23-11-7-19-43(49)44-20-8-12-24-50(44)57)37-28-30-54-48(35-37)46-22-10-14-26-52(46)56(54)41-17-5-2-6-18-41;1-6-18-40(19-7-1)41-30-33-48(34-31-41)56(46-24-12-4-13-25-46)50-37-43(36-49(39-50)55(44-20-8-2-9-21-44)45-22-10-3-11-23-45)42-32-35-52-51-28-16-17-29-53(51)57(54(52)38-42)47-26-14-5-15-27-47;1-39(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)39)32-22-21-30(23-37(32)41-38)40(28-13-7-4-8-14-28)29-19-17-27(18-20-29)26-11-5-3-6-12-26/h1-35H;1-39H;3-25H,1-2H3
InChIKeyJEGJPJJEOFBPML-UHFFFAOYSA-N
XLogP40.87
TPSA29.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001999.56
LogP ≤ 540.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
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
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
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
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3sc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JEGJPJJEOFBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C54H39N3.C39H29NS/c1-3-15-40(16-4-1)55-51-25-13-9-21-45(51)47-34-36(27-29-53(47)55)38-31-39(33-42(32-38)57-49-23-11-7-19-43(49)44-20-8-12-24-50(44)57)37-28-30-54-48(35-37)46-22-10-14-26-52(46)56(54)41-17-5-2-6-18-41;1-6-18-40(19-7-1)41-30-33-48(34-31-41)56(46-24-12-4-13-25-46)50-37-43(36-49(39-50)55(44-20-8-2-9-21-44)45-22-10-3-11-23-45)42-32-35-52-51-28-16-17-29-53(51)57(54(52)38-42)47-26-14-5-15-27-47;1-39(2)35-16-10-9-15-31(35)33-25-38-34(24-36(33)39)32-22-21-30(23-37(32)41-38)40(28-13-7-4-8-14-28)29-19-17-27(18-20-29)26-11-5-3-6-12-26/h1-35H;1-39H;3-25H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1999.56 g/mol, XLogP of 40.87, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158891210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).