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

C50H32N2O — CID 163412260

IUPACN-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)37-27-36-17-9-10-20-41(36)48(29-37)51(40-24-26-49-45(32-40)44-28-34-15-7-8-16-35(34)30-50(44)53-49)39-23-25-47-43(31-39)42-21-11-12-22-46(42)52(47)38-18-5-2-6-19-38/h1-32H
InChIKeyABMHHXNOZAQDES-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

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

N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine (PubChem CID 163412260) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
PubChem CID163412260
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)37-27-36-17-9-10-20-41(36)48(29-37)51(40-24-26-49-45(32-40)44-28-34-15-7-8-16-35(34)30-50(44)53-49)39-23-25-47-43(31-39)42-21-11-12-22-46(42)52(47)38-18-5-2-6-19-38/h1-32H
InChIKeyABMHHXNOZAQDES-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[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-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine
CID 168809194
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
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-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 118462718
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
9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167143696
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-(5-phenylbenzo[b]carbazol-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166847744

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine (CID 163412260) is N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine is c1ccc(-c2cc(N(c3ccc4oc5cc6ccccc6cc5c4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3c2)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine?
The InChIKey is ABMHHXNOZAQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)37-27-36-17-9-10-20-41(36)48(29-37)51(40-24-26-49-45(32-40)44-28-34-15-7-8-16-35(34)30-50(44)53-49)39-23-25-47-43(31-39)42-21-11-12-22-46(42)52(47)38-18-5-2-6-19-38/h1-32H.
What are the key properties of N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine?
N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-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[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine is sourced from PubChem (CID 163412260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).