7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine

C62H38N2O — CID 170376987

IUPAC7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C62H38N2O/c1-3-17-39(18-4-1)60-61-52-34-32-43(63(41-20-5-2-6-21-41)42-31-33-50-48-26-10-9-24-46(48)47-25-11-12-27-49(47)54(50)36-42)37-56(52)64(57(61)38-59-62(60)53-29-15-16-30-58(53)65-59)55-35-40-19-7-8-22-44(40)45-23-13-14-28-51(45)55/h1-38H
InChIKeyVPSTURJDQDPUIQ-UHFFFAOYSA-N
MW827.00 g/mol
LogP17.59
Rot. Bonds5

About 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine

7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine (PubChem CID 170376987) has the molecular formula C62H38N2O and a molecular weight of 827.00 g/mol. Its IUPAC name is 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine.

Molecular Properties

Compound Name7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
PubChem CID170376987
Molecular FormulaC62H38N2O
Molecular Weight827.00 g/mol
Exact Mass826.30
IUPAC Name7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C62H38N2O/c1-3-17-39(18-4-1)60-61-52-34-32-43(63(41-20-5-2-6-21-41)42-31-33-50-48-26-10-9-24-46(48)47-25-11-12-27-49(47)54(50)36-42)37-56(52)64(57(61)38-59-62(60)53-29-15-16-30-58(53)65-59)55-35-40-19-7-8-22-44(40)45-23-13-14-28-51(45)55/h1-38H
InChIKeyVPSTURJDQDPUIQ-UHFFFAOYSA-N
XLogP17.59
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine with MolForge

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Related Compounds

7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376840
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376943
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825

Frequently Asked Questions

What is the IUPAC name of 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine?
The IUPAC name of 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine (CID 170376987) is 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine.
What is the SMILES notation for 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine?
The canonical SMILES for 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine is c1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1.
What is the InChIKey of 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine?
The InChIKey is VPSTURJDQDPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O/c1-3-17-39(18-4-1)60-61-52-34-32-43(63(41-20-5-2-6-21-41)42-31-33-50-48-26-10-9-24-46(48)47-25-11-12-27-49(47)54(50)36-42)37-56(52)64(57(61)38-59-62(60)53-29-15-16-30-58(53)65-59)55-35-40-19-7-8-22-44(40)45-23-13-14-28-51(45)55/h1-38H.
What are the key properties of 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine?
7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine has a molecular weight of 827.00 g/mol, XLogP of 17.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine is sourced from PubChem (CID 170376987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).