N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine

C53H40N2O — CID 170135922

IUPACN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine
SMILESCC1C=c2c(c3cc(N(c4ccc(-c5ccc6c7c(ccc6c5)OC5C=CC=CC75)cc4)c4ccccc4-c4ccccc4)ccc3n2-c2ccccc2)=CC1
InChIInChI=1S/C53H40N2O/c1-35-20-28-45-47-34-42(27-30-49(47)55(50(45)32-35)40-14-6-3-7-15-40)54(48-18-10-8-16-43(48)37-12-4-2-5-13-37)41-25-21-36(22-26-41)38-23-29-44-39(33-38)24-31-52-53(44)46-17-9-11-19-51(46)56-52/h2-19,21-35,46,51H,20H2,1H3
InChIKeyLEINYRXYKBMZOM-UHFFFAOYSA-N
MW720.92 g/mol
LogP12.16
Rot. Bonds6

About N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine

N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine (PubChem CID 170135922) has the molecular formula C53H40N2O and a molecular weight of 720.92 g/mol. Its IUPAC name is N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine
PubChem CID170135922
Molecular FormulaC53H40N2O
Molecular Weight720.92 g/mol
Exact Mass720.31
IUPAC NameN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine
SMILESCC1C=c2c(c3cc(N(c4ccc(-c5ccc6c7c(ccc6c5)OC5C=CC=CC75)cc4)c4ccccc4-c4ccccc4)ccc3n2-c2ccccc2)=CC1
InChIInChI=1S/C53H40N2O/c1-35-20-28-45-47-34-42(27-30-49(47)55(50(45)32-35)40-14-6-3-7-15-40)54(48-18-10-8-16-43(48)37-12-4-2-5-13-37)41-25-21-36(22-26-41)38-23-29-44-39(33-38)24-31-52-53(44)46-17-9-11-19-51(46)56-52/h2-19,21-35,46,51H,20H2,1H3
InChIKeyLEINYRXYKBMZOM-UHFFFAOYSA-N
XLogP12.16
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine with MolForge

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Related Compounds

N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170126005
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 170033942
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine
CID 155484125
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555

Frequently Asked Questions

What is the IUPAC name of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine?
The IUPAC name of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine (CID 170135922) is N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine.
What is the SMILES notation for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine?
The canonical SMILES for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine is CC1C=c2c(c3cc(N(c4ccc(-c5ccc6c7c(ccc6c5)OC5C=CC=CC75)cc4)c4ccccc4-c4ccccc4)ccc3n2-c2ccccc2)=CC1.
What is the InChIKey of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine?
The InChIKey is LEINYRXYKBMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O/c1-35-20-28-45-47-34-42(27-30-49(47)55(50(45)32-35)40-14-6-3-7-15-40)54(48-18-10-8-16-43(48)37-12-4-2-5-13-37)41-25-21-36(22-26-41)38-23-29-44-39(33-38)24-31-52-53(44)46-17-9-11-19-51(46)56-52/h2-19,21-35,46,51H,20H2,1H3.
What are the key properties of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine?
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine has a molecular weight of 720.92 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine is sourced from PubChem (CID 170135922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).