N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine

C39H37N — CID 163943699

IUPACN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C(C)(C)C4(C)C)c21
InChIInChI=1S/C39H37N/c1-37(2)30-21-12-10-18-27(30)28-20-14-25-34(36(28)37)40(26-16-8-7-9-17-26)33-24-15-23-32-35(33)29-19-11-13-22-31(29)38(3,4)39(32,5)6/h7-25H,1-6H3
InChIKeyVVYPJVQDOBEXIE-UHFFFAOYSA-N
MW519.73 g/mol
LogP10.70
Rot. Bonds3

About N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine

N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine (PubChem CID 163943699) has the molecular formula C39H37N and a molecular weight of 519.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
PubChem CID163943699
Molecular FormulaC39H37N
Molecular Weight519.73 g/mol
Exact Mass519.29
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C(C)(C)C4(C)C)c21
InChIInChI=1S/C39H37N/c1-37(2)30-21-12-10-18-27(30)28-20-14-25-34(36(28)37)40(26-16-8-7-9-17-26)33-24-15-23-32-35(33)29-19-11-13-22-31(29)38(3,4)39(32,5)6/h7-25H,1-6H3
InChIKeyVVYPJVQDOBEXIE-UHFFFAOYSA-N
XLogP10.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 167285584
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
CID 170144166
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
CID 163615776
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167649293
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 135271121

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine (CID 163943699) is N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C(C)(C)C4(C)C)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine?
The InChIKey is VVYPJVQDOBEXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N/c1-37(2)30-21-12-10-18-27(30)28-20-14-25-34(36(28)37)40(26-16-8-7-9-17-26)33-24-15-23-32-35(33)29-19-11-13-22-31(29)38(3,4)39(32,5)6/h7-25H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine?
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine has a molecular weight of 519.73 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine is sourced from PubChem (CID 163943699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).