9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine

C32H33N — CID 155421798

IUPAC9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(C45CC6CC7CC(C4)C7(C6)C5)cc3)cc21
InChIInChI=1S/C32H33N/c1-30(2)28-6-4-3-5-26(28)27-12-11-25(15-29(27)30)33-24-9-7-21(8-10-24)31-16-20-13-22-14-23(18-31)32(22,17-20)19-31/h3-12,15,20,22-23,33H,13-14,16-19H2,1-2H3
InChIKeyVNIQGOJHPXKUSD-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.20
Rot. Bonds3

About 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine (PubChem CID 155421798) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine
PubChem CID155421798
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC Name9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(C45CC6CC7CC(C4)C7(C6)C5)cc3)cc21
InChIInChI=1S/C32H33N/c1-30(2)28-6-4-3-5-26(28)27-12-11-25(15-29(27)30)33-24-9-7-21(8-10-24)31-16-20-13-22-14-23(18-31)32(22,17-20)19-31/h3-12,15,20,22-23,33H,13-14,16-19H2,1-2H3
InChIKeyVNIQGOJHPXKUSD-UHFFFAOYSA-N
XLogP8.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(1,1'-Biphenyl)-2-yl-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9'-spirobi(9H-fluoren)-2-amine
CID 66803019
N-(biphenyl-4-yl)-9,9-dimethyl-9H-fluoren-2-amine
CID 20730584
Benzenamine, ar-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-N-((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenyl)-
CID 109481
3-methylphenyl-3-(9-phenyl-9H-fluoren-9-yl)phenylamine
CID 66691792
Biphenyl-2-yl-(9,9-dimethyl-9H-fluoren-2-yl)-((2',7'-bis(1,1-dimethylethyl)-(9,9'-spirobifluoren-2-yl))-amin
CID 66807436
N-((1,1'-Biphenyl)-4-yl)-9,9-diphenyl-9H-fluoren-2-amine
CID 70700390
Biphenyl-2-yl-(9,9-dimethyl-9H-fluoren-2-yl)-(9,9'-spirobifluoren-4-yl)-amine
CID 89760784
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi(fluorene)-4-amine
CID 89769671
N-((1,1'-biphenyl)-3-yl)-9,9-diphenyl-9H-fluoren-2-amine
CID 90125060
N-((1,1'-biphenyl)-2-yl)-9,9-diphenyl-9,9a-dihydro-4aH-fluoren-2-amine
CID 118248731
N-((1,1'-Biphenyl)-2-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-7'-phenyl-9,9'-spirobi(fluoren)-7-amine
CID 118298487
N-([1,1'-biphenyl]-2-yl)-9,9'-spirobi[fluoren]-3-amine
CID 156308425

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine (CID 155421798) is 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(C45CC6CC7CC(C4)C7(C6)C5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine?
The InChIKey is VNIQGOJHPXKUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-30(2)28-6-4-3-5-26(28)27-12-11-25(15-29(27)30)33-24-9-7-21(8-10-24)31-16-20-13-22-14-23(18-31)32(22,17-20)19-31/h3-12,15,20,22-23,33H,13-14,16-19H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine has a molecular weight of 431.62 g/mol, XLogP of 8.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155421798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).