N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine

C49H35N — CID 167183210

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccccc3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C49H35N/c1-49(2)45-17-9-7-16-43(45)44-31-39(26-28-46(44)49)50(47-18-10-8-14-40(47)36-23-19-32-11-3-4-13-35(32)29-36)38-25-27-42-37(30-38)24-22-34-21-20-33-12-5-6-15-41(33)48(34)42/h3-31H,1-2H3
InChIKeyNANCXYQBULSNNV-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine

N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine (PubChem CID 167183210) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
PubChem CID167183210
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccccc3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C49H35N/c1-49(2)45-17-9-7-16-43(45)44-31-39(26-28-46(44)49)50(47-18-10-8-14-40(47)36-23-19-32-11-3-4-13-35(32)29-36)38-25-27-42-37(30-38)24-22-34-21-20-33-12-5-6-15-41(33)48(34)42/h3-31H,1-2H3
InChIKeyNANCXYQBULSNNV-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.74
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-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
CID 170139071
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-4-amine
CID 170140136
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167181893
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167183227
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine (CID 167183210) is N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3ccccc3-c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine?
The InChIKey is NANCXYQBULSNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)45-17-9-7-16-43(45)44-31-39(26-28-46(44)49)50(47-18-10-8-14-40(47)36-23-19-32-11-3-4-13-35(32)29-36)38-25-27-42-37(30-38)24-22-34-21-20-33-12-5-6-15-41(33)48(34)42/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine has a molecular weight of 637.83 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine is sourced from PubChem (CID 167183210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).