N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C46H30N2O — CID 163536475

IUPACN-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-12-31(13-4-1)32-14-11-17-36(26-32)47(37-23-22-33-29-46-42(28-34(33)27-37)40-19-8-10-21-45(40)49-46)38-24-25-44-41(30-38)39-18-7-9-20-43(39)48(44)35-15-5-2-6-16-35/h1-30H
InChIKeyDXKDZIUBNKDFLN-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 163536475) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID163536475
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-12-31(13-4-1)32-14-11-17-36(26-32)47(37-23-22-33-29-46-42(28-34(33)27-37)40-19-8-10-21-45(40)49-46)38-24-25-44-41(30-38)39-18-7-9-20-43(39)48(44)35-15-5-2-6-16-35/h1-30H
InChIKeyDXKDZIUBNKDFLN-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-19-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170779636
N-[3-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166847744
3-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-19-yl)-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(3-phenylphenyl)benzene-1,3-diamine
CID 170779241
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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
7-N,19-N-di(dibenzofuran-2-yl)-19-N-[7-[4-[3-(N-[4-(10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-yl)phenyl]anilino)carbazol-9-yl]phenyl]-9-phenylcarbazol-2-yl]-7-N-(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 166829778
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 163536475) is N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4cc5oc6ccccc6c5cc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is DXKDZIUBNKDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-12-31(13-4-1)32-14-11-17-36(26-32)47(37-23-22-33-29-46-42(28-34(33)27-37)40-19-8-10-21-45(40)49-46)38-24-25-44-41(30-38)39-18-7-9-20-43(39)48(44)35-15-5-2-6-16-35/h1-30H.
What are the key properties of N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 163536475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).