9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine

C45H42N2 — CID 140677044

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)CC(C)(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ncc21
InChIInChI=1S/C45H42N2/c1-43(2)29-44(3,4)41-28-46-42(27-40(41)43)32-15-12-16-34(25-32)47(33-21-19-31(20-22-33)30-13-8-7-9-14-30)35-23-24-37-36-17-10-11-18-38(36)45(5,6)39(37)26-35/h7-28H,29H2,1-6H3
InChIKeyJNGOQCUQQLQHAR-UHFFFAOYSA-N
MW610.85 g/mol
LogP12.15
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine (PubChem CID 140677044) has the molecular formula C45H42N2 and a molecular weight of 610.85 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine
PubChem CID140677044
Molecular FormulaC45H42N2
Molecular Weight610.85 g/mol
Exact Mass610.33
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)CC(C)(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ncc21
InChIInChI=1S/C45H42N2/c1-43(2)29-44(3,4)41-28-46-42(27-40(41)43)32-15-12-16-34(25-32)47(33-21-19-31(20-22-33)30-13-8-7-9-14-30)35-23-24-37-36-17-10-11-18-38(36)45(5,6)39(37)26-35/h7-28H,29H2,1-6H3
InChIKeyJNGOQCUQQLQHAR-UHFFFAOYSA-N
XLogP12.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)benzene-4-id-1-yl]fluoren-2-amine;iridium
CID 140790062
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine (CID 140677044) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine is CC1(C)CC(C)(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ncc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine?
The InChIKey is JNGOQCUQQLQHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N2/c1-43(2)29-44(3,4)41-28-46-42(27-40(41)43)32-15-12-16-34(25-32)47(33-21-19-31(20-22-33)30-13-8-7-9-14-30)35-23-24-37-36-17-10-11-18-38(36)45(5,6)39(37)26-35/h7-28H,29H2,1-6H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine has a molecular weight of 610.85 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 140677044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).