N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine

C161H105N9OS3 — CID 157219235

IUPACN,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)c4c5ccccc5sc4c32)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2cccnc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2oc2ccccc23)cc1
InChIInChI=1S/C50H32N2S.C40H26N2S.C36H24N2S.C35H23N3O/c1-2-17-37(18-3-1)52-46-22-10-8-20-41(46)44-32-43(48-42-21-9-11-24-47(42)53-50(48)49(44)52)35-26-28-38(29-27-35)51(39-30-25-33-13-4-5-15-36(33)31-39)45-23-12-16-34-14-6-7-19-40(34)45;1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)40-38(36)32-22-10-12-25-37(32)43-40;1-4-14-25(15-5-1)37(26-16-6-2-7-17-26)32-24-30-28-20-10-12-22-31(28)38(27-18-8-3-9-19-27)35(30)36-34(32)29-21-11-13-23-33(29)39-36;1-3-12-24(13-4-1)37(26-16-11-21-36-23-26)31-22-29-27-17-7-9-19-30(27)38(25-14-5-2-6-15-25)34(29)33-28-18-8-10-20-32(28)39-35(31)33/h1-32H;1-26H;1-24H;1-23H
InChIKeyASUBILPNHUXIGW-UHFFFAOYSA-N
MW2277.87 g/mol
LogP46.54
Rot. Bonds17

About N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine

N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine (PubChem CID 157219235) has the molecular formula C161H105N9OS3 and a molecular weight of 2277.87 g/mol. Its IUPAC name is N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine.

Molecular Properties

Compound NameN,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine
PubChem CID157219235
Molecular FormulaC161H105N9OS3
Molecular Weight2277.87 g/mol
Exact Mass2275.76
IUPAC NameN,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)c4c5ccccc5sc4c32)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2cccnc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2oc2ccccc23)cc1
InChIInChI=1S/C50H32N2S.C40H26N2S.C36H24N2S.C35H23N3O/c1-2-17-37(18-3-1)52-46-22-10-8-20-41(46)44-32-43(48-42-21-9-11-24-47(42)53-50(48)49(44)52)35-26-28-38(29-27-35)51(39-30-25-33-13-4-5-15-36(33)31-39)45-23-12-16-34-14-6-7-19-40(34)45;1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)40-38(36)32-22-10-12-25-37(32)43-40;1-4-14-25(15-5-1)37(26-16-6-2-7-17-26)32-24-30-28-20-10-12-22-31(28)38(27-18-8-3-9-19-27)35(30)36-34(32)29-21-11-13-23-33(29)39-36;1-3-12-24(13-4-1)37(26-16-11-21-36-23-26)31-22-29-27-17-7-9-19-30(27)38(25-14-5-2-6-15-25)34(29)33-28-18-8-10-20-32(28)39-35(31)33/h1-32H;1-26H;1-24H;1-23H
InChIKeyASUBILPNHUXIGW-UHFFFAOYSA-N
XLogP46.54
TPSA58.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002277.87
LogP ≤ 546.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine with MolForge

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Related Compounds

5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035
3-[2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 158582371
CID 160415566
CID 160415566
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 161030402
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;3-[2,4-bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-methylphenyl]benzonitrile;3-[2,4-bis(5-methylindolo[3,2-c]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole;3-[3-methyl-2,4-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-methyl-2,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 161098843
12-[2-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole
CID 161443960
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 161785528
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850025
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850214
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228

Frequently Asked Questions

What is the IUPAC name of N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine?
The IUPAC name of N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine (CID 157219235) is N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine.
What is the SMILES notation for N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine?
The canonical SMILES for N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)c4c5ccccc5sc4c32)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)cc1.c1ccc(N(c2cccnc2)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2oc2ccccc23)cc1.
What is the InChIKey of N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine?
The InChIKey is ASUBILPNHUXIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S.C40H26N2S.C36H24N2S.C35H23N3O/c1-2-17-37(18-3-1)52-46-22-10-8-20-41(46)44-32-43(48-42-21-9-11-24-47(42)53-50(48)49(44)52)35-26-28-38(29-27-35)51(39-30-25-33-13-4-5-15-36(33)31-39)45-23-12-16-34-14-6-7-19-40(34)45;1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)40-38(36)32-22-10-12-25-37(32)43-40;1-4-14-25(15-5-1)37(26-16-6-2-7-17-26)32-24-30-28-20-10-12-22-31(28)38(27-18-8-3-9-19-27)35(30)36-34(32)29-21-11-13-23-33(29)39-36;1-3-12-24(13-4-1)37(26-16-11-21-36-23-26)31-22-29-27-17-7-9-19-30(27)38(25-14-5-2-6-15-25)34(29)33-28-18-8-10-20-32(28)39-35(31)33/h1-32H;1-26H;1-24H;1-23H.
What are the key properties of N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine?
N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine has a molecular weight of 2277.87 g/mol, XLogP of 46.54, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine is sourced from PubChem (CID 157219235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).