10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine

C57H42N2 — CID 170410839

IUPAC10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H42N2/c1-57(2)54-35-42-19-13-12-18-41(42)34-52(54)51-33-31-48(38-55(51)57)59(45-23-10-5-11-24-45)56-36-43-20-14-15-25-49(43)50-32-30-47(37-53(50)56)58(44-21-8-4-9-22-44)46-28-26-40(27-29-46)39-16-6-3-7-17-39/h3-38H,1-2H3
InChIKeyZMNKQYJUJODIMA-UHFFFAOYSA-N
MW754.98 g/mol
LogP16.06
Rot. Bonds7

About 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine

10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine (PubChem CID 170410839) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine.

Molecular Properties

Compound Name10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
PubChem CID170410839
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H42N2/c1-57(2)54-35-42-19-13-12-18-41(42)34-52(54)51-33-31-48(38-55(51)57)59(45-23-10-5-11-24-45)56-36-43-20-14-15-25-49(43)50-32-30-47(37-53(50)56)58(44-21-8-4-9-22-44)46-28-26-40(27-29-46)39-16-6-3-7-17-39/h3-38H,1-2H3
InChIKeyZMNKQYJUJODIMA-UHFFFAOYSA-N
XLogP16.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587

Frequently Asked Questions

What is the IUPAC name of 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine?
The IUPAC name of 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine (CID 170410839) is 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine.
What is the SMILES notation for 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine?
The canonical SMILES for 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine is CC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine?
The InChIKey is ZMNKQYJUJODIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)54-35-42-19-13-12-18-41(42)34-52(54)51-33-31-48(38-55(51)57)59(45-23-10-5-11-24-45)56-36-43-20-14-15-25-49(43)50-32-30-47(37-53(50)56)58(44-21-8-4-9-22-44)46-28-26-40(27-29-46)39-16-6-3-7-17-39/h3-38H,1-2H3.
What are the key properties of 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine?
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine has a molecular weight of 754.98 g/mol, XLogP of 16.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine is sourced from PubChem (CID 170410839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).