N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine

C51H37N — CID 155181855

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-26-13-12-23-43(47)44-29-28-38(33-48(44)51)52(50-32-37-18-7-9-21-40(37)41-22-10-11-24-45(41)50)49-30-27-36(34-15-4-3-5-16-34)31-46(49)42-25-14-19-35-17-6-8-20-39(35)42/h3-33H,1-2H3
InChIKeySUHQYWGCQICJRF-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.26
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine (PubChem CID 155181855) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
PubChem CID155181855
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-26-13-12-23-43(47)44-29-28-38(33-48(44)51)52(50-32-37-18-7-9-21-40(37)41-22-10-11-24-45(41)50)49-30-27-36(34-15-4-3-5-16-34)31-46(49)42-25-14-19-35-17-6-8-20-39(35)42/h3-33H,1-2H3
InChIKeySUHQYWGCQICJRF-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.26
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)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
9,9-dimethyl-N,7-dinaphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]phenanthren-9-amine;9,9-dimethyl-7-naphthalen-1-yl-N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159564586
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 164774109

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine (CID 155181855) is N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine?
The InChIKey is SUHQYWGCQICJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)47-26-13-12-23-43(47)44-29-28-38(33-48(44)51)52(50-32-37-18-7-9-21-40(37)41-22-10-11-24-45(41)50)49-30-27-36(34-15-4-3-5-16-34)31-46(49)42-25-14-19-35-17-6-8-20-39(35)42/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155181855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).