3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine

C70H49N — CID 142515483

IUPAC3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine
SMILESC1=CCC=C2C(=C1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3cc4ccccc4c4ccccc34)cc12
InChIInChI=1S/C70H49N/c1-6-20-49(21-7-1)51-34-36-52(37-35-51)54-40-44-59(45-41-54)71(58-42-38-53(39-43-58)50-22-8-2-9-23-50)69-48-68-65(47-66(69)64-46-55-24-16-17-29-60(55)61-30-18-19-31-62(61)64)63-32-14-5-15-33-67(63)70(68,56-25-10-3-11-26-56)57-27-12-4-13-28-57/h1-13,15-48H,14H2
InChIKeyQLJSVZRRTBRIBE-UHFFFAOYSA-N
MW904.17 g/mol
LogP18.75
Rot. Bonds9

About 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine

3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine (PubChem CID 142515483) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine.

Molecular Properties

Compound Name3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine
PubChem CID142515483
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC Name3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine
SMILESC1=CCC=C2C(=C1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3cc4ccccc4c4ccccc34)cc12
InChIInChI=1S/C70H49N/c1-6-20-49(21-7-1)51-34-36-52(37-35-51)54-40-44-59(45-41-54)71(58-42-38-53(39-43-58)50-22-8-2-9-23-50)69-48-68-65(47-66(69)64-46-55-24-16-17-29-60(55)61-30-18-19-31-62(61)64)63-32-14-5-15-33-67(63)70(68,56-25-10-3-11-26-56)57-27-12-4-13-28-57/h1-13,15-48H,14H2
InChIKeyQLJSVZRRTBRIBE-UHFFFAOYSA-N
XLogP18.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142515477
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
3'-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729933

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine?
The IUPAC name of 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine (CID 142515483) is 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine.
What is the SMILES notation for 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine?
The canonical SMILES for 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine is C1=CCC=C2C(=C1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3cc4ccccc4c4ccccc34)cc12.
What is the InChIKey of 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine?
The InChIKey is QLJSVZRRTBRIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-6-20-49(21-7-1)51-34-36-52(37-35-51)54-40-44-59(45-41-54)71(58-42-38-53(39-43-58)50-22-8-2-9-23-50)69-48-68-65(47-66(69)64-46-55-24-16-17-29-60(55)61-30-18-19-31-62(61)64)63-32-14-5-15-33-67(63)70(68,56-25-10-3-11-26-56)57-27-12-4-13-28-57/h1-13,15-48H,14H2.
What are the key properties of 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine?
3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine has a molecular weight of 904.17 g/mol, XLogP of 18.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine is sourced from PubChem (CID 142515483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).