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

C55H39N — CID 59282514

IUPAC9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C55H39N/c1-55(2)52-34-37(28-30-46(52)47-31-29-41(35-53(47)55)56(39-18-5-3-6-19-39)40-20-7-4-8-21-40)50-32-38-33-51(43-27-15-17-36-16-9-10-22-42(36)43)45-24-12-14-26-49(45)54(38)48-25-13-11-23-44(48)50/h3-35H,1-2H3
InChIKeyCRGQHXMLTYWJHG-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

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

9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine (PubChem CID 59282514) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
PubChem CID59282514
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C55H39N/c1-55(2)52-34-37(28-30-46(52)47-31-29-41(35-53(47)55)56(39-18-5-3-6-19-39)40-20-7-4-8-21-40)50-32-38-33-51(43-27-15-17-36-16-9-10-22-42(36)43)45-24-12-14-26-49(45)54(38)48-25-13-11-23-44(48)50/h3-35H,1-2H3
InChIKeyCRGQHXMLTYWJHG-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
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-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
CID 59282086
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
CID 59282384
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
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
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine
CID 59282335
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
9,9-dimethyl-N,7-bis(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-N-phenylfluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 158320331
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine (CID 59282514) is 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine is CC1(C)c2cc(-c3cc4cc(-c5cccc6ccccc56)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine?
The InChIKey is CRGQHXMLTYWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)52-34-37(28-30-46(52)47-31-29-41(35-53(47)55)56(39-18-5-3-6-19-39)40-20-7-4-8-21-40)50-32-38-33-51(43-27-15-17-36-16-9-10-22-42(36)43)45-24-12-14-26-49(45)54(38)48-25-13-11-23-44(48)50/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine?
9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 59282514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).