N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine

C40H32N2 — CID 58903663

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
SMILESCN(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C40H32N2/c1-40(2)36-13-7-4-10-32(36)33-25-24-31(26-37(33)40)41(3)29-20-16-27(17-21-29)28-18-22-30(23-19-28)42-38-14-8-5-11-34(38)35-12-6-9-15-39(35)42/h4-26H,1-3H3
InChIKeyJFRRYROZEHEJAG-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.52
Rot. Bonds4

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine (PubChem CID 58903663) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
PubChem CID58903663
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
SMILESCN(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C40H32N2/c1-40(2)36-13-7-4-10-32(36)33-25-24-31(26-37(33)40)41(3)29-20-16-27(17-21-29)28-18-22-30(23-19-28)42-38-14-8-5-11-34(38)35-12-6-9-15-39(35)42/h4-26H,1-3H3
InChIKeyJFRRYROZEHEJAG-UHFFFAOYSA-N
XLogP10.52
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine (CID 58903663) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine is CN(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine?
The InChIKey is JFRRYROZEHEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-40(2)36-13-7-4-10-32(36)33-25-24-31(26-37(33)40)41(3)29-20-16-27(17-21-29)28-18-22-30(23-19-28)42-38-14-8-5-11-34(38)35-12-6-9-15-39(35)42/h4-26H,1-3H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine has a molecular weight of 540.71 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 58903663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).