N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine

C44H28N2O — CID 163743185

IUPACN-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-26-24-34(28-38(39)36-25-22-30-12-6-7-16-35(30)44(36)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-18-10-20-42-43(40)37-17-8-9-19-41(37)47-42/h1-28H
InChIKeyLJOBRVDEKXVFDX-UHFFFAOYSA-N
MW600.72 g/mol
LogP12.46
Rot. Bonds4

About N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine

N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine (PubChem CID 163743185) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine
PubChem CID163743185
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC NameN-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-26-24-34(28-38(39)36-25-22-30-12-6-7-16-35(30)44(36)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-18-10-20-42-43(40)37-17-8-9-19-41(37)47-42/h1-28H
InChIKeyLJOBRVDEKXVFDX-UHFFFAOYSA-N
XLogP12.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine (CID 163743185) is N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine is c1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine?
The InChIKey is LJOBRVDEKXVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-26-24-34(28-38(39)36-25-22-30-12-6-7-16-35(30)44(36)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-18-10-20-42-43(40)37-17-8-9-19-41(37)47-42/h1-28H.
What are the key properties of N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine?
N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine has a molecular weight of 600.72 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 163743185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).