N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C62H40N2O — CID 146508772

IUPACN-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccc7c(-c8ccccc8)c8ccccc8n7c56)cc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H40N2O/c1-3-12-41(13-4-1)43-26-32-49(33-27-43)63(51-36-37-55-59(40-51)65-58-39-31-45-14-7-8-18-52(45)61(55)58)50-34-28-44(29-35-50)42-22-24-46(25-23-42)53-20-11-17-48-30-38-57-60(47-15-5-2-6-16-47)54-19-9-10-21-56(54)64(57)62(48)53/h1-40H
InChIKeyYLUAMISMXJYVDA-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.44
Rot. Bonds7

About N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 146508772) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID146508772
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccc7c(-c8ccccc8)c8ccccc8n7c56)cc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H40N2O/c1-3-12-41(13-4-1)43-26-32-49(33-27-43)63(51-36-37-55-59(40-51)65-58-39-31-45-14-7-8-18-52(45)61(55)58)50-34-28-44(29-35-50)42-22-24-46(25-23-42)53-20-11-17-48-30-38-57-60(47-15-5-2-6-16-47)54-19-9-10-21-56(54)64(57)62(48)53/h1-40H
InChIKeyYLUAMISMXJYVDA-UHFFFAOYSA-N
XLogP17.44
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
CID 146508836
N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
CID 146508978
N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
CID 146508773
N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 152835984
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280138
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
CID 146508585
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 146508772) is N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccc7c(-c8ccccc8)c8ccccc8n7c56)cc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is YLUAMISMXJYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-3-12-41(13-4-1)43-26-32-49(33-27-43)63(51-36-37-55-59(40-51)65-58-39-31-45-14-7-8-18-52(45)61(55)58)50-34-28-44(29-35-50)42-22-24-46(25-23-42)53-20-11-17-48-30-38-57-60(47-15-5-2-6-16-47)54-19-9-10-21-56(54)64(57)62(48)53/h1-40H.
What are the key properties of N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 829.02 g/mol, XLogP of 17.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 146508772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).