9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine

C62H50N2O — CID 169029905

IUPAC9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1ccc(-c2ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc2)cc13
InChIInChI=1S/C62H50N2O/c1-61(2)34-35-62(3,4)56-40-60-54(39-55(56)61)53-37-46(28-33-59(53)65-60)44-24-22-42(23-25-44)43-26-29-48(30-27-43)63(49-19-13-16-45(36-49)41-14-7-5-8-15-41)50-31-32-58-52(38-50)51-20-11-12-21-57(51)64(58)47-17-9-6-10-18-47/h5-33,36-40H,34-35H2,1-4H3
InChIKeyNWYVEGJJKWNJEZ-UHFFFAOYSA-N
MW839.10 g/mol
LogP17.50
Rot. Bonds7

About 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine

9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine (PubChem CID 169029905) has the molecular formula C62H50N2O and a molecular weight of 839.10 g/mol. Its IUPAC name is 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine
PubChem CID169029905
Molecular FormulaC62H50N2O
Molecular Weight839.10 g/mol
Exact Mass838.39
IUPAC Name9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1ccc(-c2ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc2)cc13
InChIInChI=1S/C62H50N2O/c1-61(2)34-35-62(3,4)56-40-60-54(39-55(56)61)53-37-46(28-33-59(53)65-60)44-24-22-42(23-25-44)43-26-29-48(30-27-43)63(49-19-13-16-45(36-49)41-14-7-5-8-15-41)50-31-32-58-52(38-50)51-20-11-12-21-57(51)64(58)47-17-9-6-10-18-47/h5-33,36-40H,34-35H2,1-4H3
InChIKeyNWYVEGJJKWNJEZ-UHFFFAOYSA-N
XLogP17.50
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.10
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
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
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
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine (CID 169029905) is 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)oc1ccc(-c2ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc2)cc13.
What is the InChIKey of 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine?
The InChIKey is NWYVEGJJKWNJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2O/c1-61(2)34-35-62(3,4)56-40-60-54(39-55(56)61)53-37-46(28-33-59(53)65-60)44-24-22-42(23-25-44)43-26-29-48(30-27-43)63(49-19-13-16-45(36-49)41-14-7-5-8-15-41)50-31-32-58-52(38-50)51-20-11-12-21-57(51)64(58)47-17-9-6-10-18-47/h5-33,36-40H,34-35H2,1-4H3.
What are the key properties of 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine?
9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine has a molecular weight of 839.10 g/mol, XLogP of 17.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 169029905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).