10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine

C47H35N — CID 177079830

IUPAC10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)45-20-12-11-19-41(45)42-27-23-35(30-46(42)47)43-29-34-15-9-10-18-39(34)40-28-26-38(31-44(40)43)48(36-16-7-4-8-17-36)37-24-21-33(22-25-37)32-13-5-3-6-14-32/h3-31H,1-2H3
InChIKeyRDVFZUCKOGYTAO-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine

10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 177079830) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID177079830
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)45-20-12-11-19-41(45)42-27-23-35(30-46(42)47)43-29-34-15-9-10-18-39(34)40-28-26-38(31-44(40)43)48(36-16-7-4-8-17-36)37-24-21-33(22-25-37)32-13-5-3-6-14-32/h3-31H,1-2H3
InChIKeyRDVFZUCKOGYTAO-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
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-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-ylaniline
CID 166566679
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine (CID 177079830) is 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is RDVFZUCKOGYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)45-20-12-11-19-41(45)42-27-23-35(30-46(42)47)43-29-34-15-9-10-18-39(34)40-28-26-38(31-44(40)43)48(36-16-7-4-8-17-36)37-24-21-33(22-25-37)32-13-5-3-6-14-32/h3-31H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine?
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 177079830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).