N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine

C50H32N2O — CID 163568705

IUPACN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4ccccc4cc4oc5ccccc5c34)ccc3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-16-34(17-4-1)48-38-21-9-7-15-33(38)27-29-45(48)52(50-39-22-10-8-18-35(39)31-47-49(50)41-24-12-14-26-46(41)53-47)37-28-30-44-42(32-37)40-23-11-13-25-43(40)51(44)36-19-5-2-6-20-36/h1-32H
InChIKeyFXJQKWHWFAKRTP-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine

N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine (PubChem CID 163568705) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine
PubChem CID163568705
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4ccccc4cc4oc5ccccc5c34)ccc3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-16-34(17-4-1)48-38-21-9-7-15-33(38)27-29-45(48)52(50-39-22-10-8-18-35(39)31-47-49(50)41-24-12-14-26-46(41)53-47)37-28-30-44-42(32-37)40-23-11-13-25-43(40)51(44)36-19-5-2-6-20-36/h1-32H
InChIKeyFXJQKWHWFAKRTP-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[3,2-b][1]benzofuran-11-yl-N,9-diphenylcarbazol-3-amine
CID 163743576
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine
CID 163804566
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163412260
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-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163903640
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
CID 177281213
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

Frequently Asked Questions

What is the IUPAC name of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine?
The IUPAC name of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine (CID 163568705) is N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine?
The canonical SMILES for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine is c1ccc(-c2c(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4ccccc4cc4oc5ccccc5c34)ccc3ccccc23)cc1.
What is the InChIKey of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine?
The InChIKey is FXJQKWHWFAKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-16-34(17-4-1)48-38-21-9-7-15-33(38)27-29-45(48)52(50-39-22-10-8-18-35(39)31-47-49(50)41-24-12-14-26-46(41)53-47)37-28-30-44-42(32-37)40-23-11-13-25-43(40)51(44)36-19-5-2-6-20-36/h1-32H.
What are the key properties of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine?
N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine is sourced from PubChem (CID 163568705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).