3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine

C60H42N4O — CID 118122343

IUPAC3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)oc3cc(N(c4ccccc4)c4ccccc4)ccc35)c2)cc1
InChIInChI=1S/C60H42N4O/c1-7-20-43(21-8-1)61(44-22-9-2-10-23-44)49-32-19-33-50(38-49)64-57-39-51(62(45-24-11-3-12-25-45)46-26-13-4-14-27-46)34-36-53(57)55-41-56-54-37-35-52(40-59(54)65-60(56)42-58(55)64)63(47-28-15-5-16-29-47)48-30-17-6-18-31-48/h1-42H
InChIKeyMMCVPTSNHHWUIN-UHFFFAOYSA-N
MW835.02 g/mol
LogP17.09
Rot. Bonds10

About 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine

3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine (PubChem CID 118122343) has the molecular formula C60H42N4O and a molecular weight of 835.02 g/mol. Its IUPAC name is 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine.

Molecular Properties

Compound Name3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine
PubChem CID118122343
Molecular FormulaC60H42N4O
Molecular Weight835.02 g/mol
Exact Mass834.34
IUPAC Name3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)oc3cc(N(c4ccccc4)c4ccccc4)ccc35)c2)cc1
InChIInChI=1S/C60H42N4O/c1-7-20-43(21-8-1)61(44-22-9-2-10-23-44)49-32-19-33-50(38-49)64-57-39-51(62(45-24-11-3-12-25-45)46-26-13-4-14-27-46)34-36-53(57)55-41-56-54-37-35-52(40-59(54)65-60(56)42-58(55)64)63(47-28-15-5-16-29-47)48-30-17-6-18-31-48/h1-42H
InChIKeyMMCVPTSNHHWUIN-UHFFFAOYSA-N
XLogP17.09
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.02
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359579
2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
CID 142288898
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine?
The IUPAC name of 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine (CID 118122343) is 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine.
What is the SMILES notation for 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine?
The canonical SMILES for 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine is c1ccc(N(c2ccccc2)c2cccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5c(cc43)oc3cc(N(c4ccccc4)c4ccccc4)ccc35)c2)cc1.
What is the InChIKey of 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine?
The InChIKey is MMCVPTSNHHWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4O/c1-7-20-43(21-8-1)61(44-22-9-2-10-23-44)49-32-19-33-50(38-49)64-57-39-51(62(45-24-11-3-12-25-45)46-26-13-4-14-27-46)34-36-53(57)55-41-56-54-37-35-52(40-59(54)65-60(56)42-58(55)64)63(47-28-15-5-16-29-47)48-30-17-6-18-31-48/h1-42H.
What are the key properties of 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine?
3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine has a molecular weight of 835.02 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine is sourced from PubChem (CID 118122343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).