9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine

C38H37N — CID 156557087

IUPAC9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3ccc(C4C5CC6CC7CC4C7(C6)C5)cc3)ccc21
InChIInChI=1S/C38H37N/c1-37(2)32-9-5-3-8-30(32)31-20-28(15-16-33(31)37)39-35-10-6-4-7-29(35)24-11-13-25(14-12-24)36-26-17-23-18-27-19-34(36)38(27,21-23)22-26/h3-16,20,23,26-27,34,36,39H,17-19,21-22H2,1-2H3
InChIKeySMPKVWXNEFHZIA-UHFFFAOYSA-N
MW507.72 g/mol
LogP9.94
Rot. Bonds4

About 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine

9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine (PubChem CID 156557087) has the molecular formula C38H37N and a molecular weight of 507.72 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine
PubChem CID156557087
Molecular FormulaC38H37N
Molecular Weight507.72 g/mol
Exact Mass507.29
IUPAC Name9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3ccc(C4C5CC6CC7CC4C7(C6)C5)cc3)ccc21
InChIInChI=1S/C38H37N/c1-37(2)32-9-5-3-8-30(32)31-20-28(15-16-33(31)37)39-35-10-6-4-7-29(35)24-11-13-25(14-12-24)36-26-17-23-18-27-19-34(36)38(27,21-23)22-26/h3-16,20,23,26-27,34,36,39H,17-19,21-22H2,1-2H3
InChIKeySMPKVWXNEFHZIA-UHFFFAOYSA-N
XLogP9.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.72
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine with MolForge

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Related Compounds

N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine (CID 156557087) is 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3ccc(C4C5CC6CC7CC4C7(C6)C5)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine?
The InChIKey is SMPKVWXNEFHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N/c1-37(2)32-9-5-3-8-30(32)31-20-28(15-16-33(31)37)39-35-10-6-4-7-29(35)24-11-13-25(14-12-24)36-26-17-23-18-27-19-34(36)38(27,21-23)22-26/h3-16,20,23,26-27,34,36,39H,17-19,21-22H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine?
9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine has a molecular weight of 507.72 g/mol, XLogP of 9.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine is sourced from PubChem (CID 156557087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).