N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine

C34H31N — CID 174280410

IUPACN-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(Nc4ccc5c(c4)Cc4ccccc4-5)cc3)ccc2C2C=CCCC21
InChIInChI=1S/C34H31N/c1-34(2)32-10-6-5-9-30(32)31-17-13-23(21-33(31)34)22-11-14-26(15-12-22)35-27-16-18-29-25(20-27)19-24-7-3-4-8-28(24)29/h3-5,7-9,11-18,20-21,30,32,35H,6,10,19H2,1-2H3
InChIKeySNSUJZRAIMRWAA-UHFFFAOYSA-N
MW453.63 g/mol
LogP9.01
Rot. Bonds3

About N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine

N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine (PubChem CID 174280410) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine
PubChem CID174280410
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC NameN-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(Nc4ccc5c(c4)Cc4ccccc4-5)cc3)ccc2C2C=CCCC21
InChIInChI=1S/C34H31N/c1-34(2)32-10-6-5-9-30(32)31-17-13-23(21-33(31)34)22-11-14-26(15-12-22)35-27-16-18-29-25(20-27)19-24-7-3-4-8-28(24)29/h3-5,7-9,11-18,20-21,30,32,35H,6,10,19H2,1-2H3
InChIKeySNSUJZRAIMRWAA-UHFFFAOYSA-N
XLogP9.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine (CID 174280410) is N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine is CC1(C)c2cc(-c3ccc(Nc4ccc5c(c4)Cc4ccccc4-5)cc3)ccc2C2C=CCCC21.
What is the InChIKey of N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine?
The InChIKey is SNSUJZRAIMRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-34(2)32-10-6-5-9-30(32)31-17-13-23(21-33(31)34)22-11-14-26(15-12-22)35-27-16-18-29-25(20-27)19-24-7-3-4-8-28(24)29/h3-5,7-9,11-18,20-21,30,32,35H,6,10,19H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine?
N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine has a molecular weight of 453.63 g/mol, XLogP of 9.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine is sourced from PubChem (CID 174280410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).