9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine

C55H47N — CID 174254708

IUPAC9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C4(c5ccccc5)CCCCC4)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C55H47N/c1-54(2)51-34-33-48(38-50(51)53-49(21-14-22-52(53)54)41-16-6-3-7-17-41)56(46-29-25-40(26-30-46)43-24-23-39-15-10-11-18-42(39)37-43)47-31-27-45(28-32-47)55(35-12-5-13-36-55)44-19-8-4-9-20-44/h3-4,6-11,14-34,37-38H,5,12-13,35-36H2,1-2H3
InChIKeyBMDGRDRZXZAQAN-UHFFFAOYSA-N
MW721.99 g/mol
LogP15.20
Rot. Bonds7

About 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine (PubChem CID 174254708) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine
PubChem CID174254708
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C4(c5ccccc5)CCCCC4)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C55H47N/c1-54(2)51-34-33-48(38-50(51)53-49(21-14-22-52(53)54)41-16-6-3-7-17-41)56(46-29-25-40(26-30-46)43-24-23-39-15-10-11-18-42(39)37-43)47-31-27-45(28-32-47)55(35-12-5-13-36-55)44-19-8-4-9-20-44/h3-4,6-11,14-34,37-38H,5,12-13,35-36H2,1-2H3
InChIKeyBMDGRDRZXZAQAN-UHFFFAOYSA-N
XLogP15.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174254615
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285597
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
9,9-dimethyl-5-naphthalen-2-yl-3-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529491
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine (CID 174254708) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine is CC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C4(c5ccccc5)CCCCC4)cc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine?
The InChIKey is BMDGRDRZXZAQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)51-34-33-48(38-50(51)53-49(21-14-22-52(53)54)41-16-6-3-7-17-41)56(46-29-25-40(26-30-46)43-24-23-39-15-10-11-18-42(39)37-43)47-31-27-45(28-32-47)55(35-12-5-13-36-55)44-19-8-4-9-20-44/h3-4,6-11,14-34,37-38H,5,12-13,35-36H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine has a molecular weight of 721.99 g/mol, XLogP of 15.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 174254708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).