9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine

C48H30N2OS — CID 118333340

IUPAC9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H30N2OS/c1-2-10-33(11-3-1)49(34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48)36-23-25-38-37-12-4-7-15-43(37)50(44(38)30-36)35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46/h1-30H
InChIKeyACKCHJIBJMTEES-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine

9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine (PubChem CID 118333340) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
PubChem CID118333340
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H30N2OS/c1-2-10-33(11-3-1)49(34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48)36-23-25-38-37-12-4-7-15-43(37)50(44(38)30-36)35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46/h1-30H
InChIKeyACKCHJIBJMTEES-UHFFFAOYSA-N
XLogP14.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
9-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333364
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole
CID 159552400
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118462722
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzofuran-2-yl-N-[4-(24-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzothiophen-2-amine;N-[4-[20,24-di(dibenzofuran-2-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl]phenyl]-N,4-diphenylaniline;N,N-diphenyl-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)aniline;N,N-diphenyl-4-[3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]aniline
CID 160712701
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine?
The IUPAC name of 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine (CID 118333340) is 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine is c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine?
The InChIKey is ACKCHJIBJMTEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-10-33(11-3-1)49(34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48)36-23-25-38-37-12-4-7-15-43(37)50(44(38)30-36)35-24-26-46-41(29-35)39-13-5-8-16-45(39)51-46/h1-30H.
What are the key properties of 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine?
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine has a molecular weight of 682.85 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 118333340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).