1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine

C147H97N9O2S — CID 159969999

IUPAC1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccnc4)c3)c3ccc(-c4cccc5oc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4oc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4sc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H35N3O.C47H31N3O.C47H31N3S/c1-3-15-36(16-4-1)37-17-11-22-41(33-37)55(42-23-12-18-38(34-42)39-19-14-32-54-35-39)48-31-30-44(43-26-13-29-50-51(43)46-25-8-10-28-49(46)57-50)53-52(48)45-24-7-9-27-47(45)56(53)40-20-5-2-6-21-40;2*1-3-16-34(17-4-1)49(36-20-11-14-32(30-36)33-15-13-29-48-31-33)42-28-27-38(37-23-12-26-44-45(37)40-22-8-10-25-43(40)51-44)47-46(42)39-21-7-9-24-41(39)50(47)35-18-5-2-6-19-35/h1-35H;2*1-31H
InChIKeyOEKRLIXSJCJKMO-UHFFFAOYSA-N
MW2053.52 g/mol
LogP40.78
Rot. Bonds19

About 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine

1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine (PubChem CID 159969999) has the molecular formula C147H97N9O2S and a molecular weight of 2053.52 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine.

Molecular Properties

Compound Name1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine
PubChem CID159969999
Molecular FormulaC147H97N9O2S
Molecular Weight2053.52 g/mol
Exact Mass2051.75
IUPAC Name1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccnc4)c3)c3ccc(-c4cccc5oc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4oc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4sc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H35N3O.C47H31N3O.C47H31N3S/c1-3-15-36(16-4-1)37-17-11-22-41(33-37)55(42-23-12-18-38(34-42)39-19-14-32-54-35-39)48-31-30-44(43-26-13-29-50-51(43)46-25-8-10-28-49(46)57-50)53-52(48)45-24-7-9-27-47(45)56(53)40-20-5-2-6-21-40;2*1-3-16-34(17-4-1)49(36-20-11-14-32(30-36)33-15-13-29-48-31-33)42-28-27-38(37-23-12-26-44-45(37)40-22-8-10-25-43(40)51-44)47-46(42)39-21-7-9-24-41(39)50(47)35-18-5-2-6-19-35/h1-35H;2*1-31H
InChIKeyOEKRLIXSJCJKMO-UHFFFAOYSA-N
XLogP40.78
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.52
LogP ≤ 540.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine with MolForge

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Related Compounds

N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
12-N,18-N-bis(6-cyclohexyldibenzothiophen-4-yl)-12-N,18-N-bis(2-fluorophenyl)-15-pyridin-4-yl-10,20-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 149366226
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
10-N,22-N-bis(4-fluorophenyl)-26-phenyl-10-N,22-N-bis(6-phenyldibenzofuran-2-yl)-13-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 156374017
CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
7-N-(7,9-dimethylcarbazol-2-yl)-7-N-(2,4-dimethylphenyl)-2-N,9-dimethyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine;2-N-(2,4-dimethylphenyl)-7-N,9,9-trimethyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine;3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine;3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 157716668
7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-(4-methylphenyl)-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-(4-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
CID 157733997
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
7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-(4-methylphenyl)-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-(4-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
CID 158434096
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(3,5-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 158679397

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine?
The IUPAC name of 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine (CID 159969999) is 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine.
What is the SMILES notation for 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine?
The canonical SMILES for 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccnc4)c3)c3ccc(-c4cccc5oc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4oc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc(-c3cccnc3)c2)c2ccc(-c3cccc4sc5ccccc5c34)c3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine?
The InChIKey is OEKRLIXSJCJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O.C47H31N3O.C47H31N3S/c1-3-15-36(16-4-1)37-17-11-22-41(33-37)55(42-23-12-18-38(34-42)39-19-14-32-54-35-39)48-31-30-44(43-26-13-29-50-51(43)46-25-8-10-28-49(46)57-50)53-52(48)45-24-7-9-27-47(45)56(53)40-20-5-2-6-21-40;2*1-3-16-34(17-4-1)49(36-20-11-14-32(30-36)33-15-13-29-48-31-33)42-28-27-38(37-23-12-26-44-45(37)40-22-8-10-25-43(40)51-44)47-46(42)39-21-7-9-24-41(39)50(47)35-18-5-2-6-19-35/h1-35H;2*1-31H.
What are the key properties of 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine?
1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine has a molecular weight of 2053.52 g/mol, XLogP of 40.78, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzofuran-1-yl-9-phenyl-N-(3-phenylphenyl)-N-(3-pyridin-3-ylphenyl)carbazol-4-amine;1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-pyridin-3-ylphenyl)carbazol-4-amine is sourced from PubChem (CID 159969999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).