N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine

C52H34N2O — CID 163731446

IUPACN-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6c7ccccc7cc7c6oc6ccccc67)cccc54)cc3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)38-30-32-41(33-31-38)53-46-22-11-9-21-44(46)50-47(53)23-13-24-48(50)54(40-17-5-2-6-18-40)51-42-19-8-7-16-39(42)34-45-43-20-10-12-25-49(43)55-52(45)51/h1-34H
InChIKeyKZWZCDDSSYIHCR-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine

N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine (PubChem CID 163731446) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
PubChem CID163731446
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6c7ccccc7cc7c6oc6ccccc67)cccc54)cc3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)38-30-32-41(33-31-38)53-46-22-11-9-21-44(46)50-47(53)23-13-24-48(50)54(40-17-5-2-6-18-40)51-42-19-8-7-16-39(42)34-45-43-20-10-12-25-49(43)55-52(45)51/h1-34H
InChIKeyKZWZCDDSSYIHCR-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 163557742
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 166032620
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168809217

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine (CID 163731446) is N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6c7ccccc7cc7c6oc6ccccc67)cccc54)cc3)cc2)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?
The InChIKey is KZWZCDDSSYIHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)38-30-32-41(33-31-38)53-46-22-11-9-21-44(46)50-47(53)23-13-24-48(50)54(40-17-5-2-6-18-40)51-42-19-8-7-16-39(42)34-45-43-20-10-12-25-49(43)55-52(45)51/h1-34H.
What are the key properties of N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?
N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 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-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine is sourced from PubChem (CID 163731446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).