9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine

C59H41N — CID 59282086

IUPAC9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C59H41N/c1-59(2)55-36-40(30-32-49(55)50-33-31-43(37-56(50)59)60(42-20-4-3-5-21-42)57-29-15-19-39-17-7-9-23-45(39)57)53-34-41-35-54(46-28-14-18-38-16-6-8-22-44(38)46)48-25-11-13-27-52(48)58(41)51-26-12-10-24-47(51)53/h3-37H,1-2H3
InChIKeySFZNWOXSKFKZHI-UHFFFAOYSA-N
MW763.98 g/mol
LogP16.56
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine (PubChem CID 59282086) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
PubChem CID59282086
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C59H41N/c1-59(2)55-36-40(30-32-49(55)50-33-31-43(37-56(50)59)60(42-20-4-3-5-21-42)57-29-15-19-39-17-7-9-23-45(39)57)53-34-41-35-54(46-28-14-18-38-16-6-8-22-44(38)46)48-25-11-13-27-52(48)58(41)51-26-12-10-24-47(51)53/h3-37H,1-2H3
InChIKeySFZNWOXSKFKZHI-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 516.56
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

9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
CID 59282514
9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
CID 59282384
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine
CID 59282237

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine (CID 59282086) is 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine is CC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine?
The InChIKey is SFZNWOXSKFKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-59(2)55-36-40(30-32-49(55)50-33-31-43(37-56(50)59)60(42-20-4-3-5-21-42)57-29-15-19-39-17-7-9-23-45(39)57)53-34-41-35-54(46-28-14-18-38-16-6-8-22-44(38)46)48-25-11-13-27-52(48)58(41)51-26-12-10-24-47(51)53/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine has a molecular weight of 763.98 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 59282086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).