7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine

C50H32N2O — CID 170377031

IUPAC7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccccc5)ccc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-4-16-33(17-5-1)48-49-42-31-37(51(35-19-6-2-7-20-35)36-21-8-3-9-22-36)28-29-43(42)52(45(49)32-47-50(48)41-26-14-15-27-46(41)53-47)44-30-34-18-10-11-23-38(34)39-24-12-13-25-40(39)44/h1-32H
InChIKeyBTTYLDYAHWOIDM-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine

7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine (PubChem CID 170377031) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine.

Molecular Properties

Compound Name7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
PubChem CID170377031
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccccc5)ccc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-4-16-33(17-5-1)48-49-42-31-37(51(35-19-6-2-7-20-35)36-21-8-3-9-22-36)28-29-43(42)52(45(49)32-47-50(48)41-26-14-15-27-46(41)53-47)44-30-34-18-10-11-23-38(34)39-24-12-13-25-40(39)44/h1-32H
InChIKeyBTTYLDYAHWOIDM-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

Computed Properties (RDKit)

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

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Related Compounds

7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376987
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
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-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376840
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110

Frequently Asked Questions

What is the IUPAC name of 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine?
The IUPAC name of 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine (CID 170377031) is 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine.
What is the SMILES notation for 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine?
The canonical SMILES for 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine is c1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccccc5)ccc2n4-c2cc4ccccc4c4ccccc24)oc2ccccc23)cc1.
What is the InChIKey of 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine?
The InChIKey is BTTYLDYAHWOIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-4-16-33(17-5-1)48-49-42-31-37(51(35-19-6-2-7-20-35)36-21-8-3-9-22-36)28-29-43(42)52(45(49)32-47-50(48)41-26-14-15-27-46(41)53-47)44-30-34-18-10-11-23-38(34)39-24-12-13-25-40(39)44/h1-32H.
What are the key properties of 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine?
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-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 7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine is sourced from PubChem (CID 170377031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).