[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine

C32H24N2 — CID 146336050

IUPAC[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)-c1ccccc1C2
InChIInChI=1S/C32H24N2/c33-20-21-16-27(29-18-22-8-4-5-11-25(22)28(29)17-21)23-14-15-32-30(19-23)26-12-6-7-13-31(26)34(32)24-9-2-1-3-10-24/h1-17,19H,18,20,33H2
InChIKeyVHGVKGFRSKYYQE-UHFFFAOYSA-N
MW436.56 g/mol
LogP7.48
Rot. Bonds3

About [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine

[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine (PubChem CID 146336050) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine.

Molecular Properties

Compound Name[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
PubChem CID146336050
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)-c1ccccc1C2
InChIInChI=1S/C32H24N2/c33-20-21-16-27(29-18-22-8-4-5-11-25(22)28(29)17-21)23-14-15-32-30(19-23)26-12-6-7-13-31(26)34(32)24-9-2-1-3-10-24/h1-17,19H,18,20,33H2
InChIKeyVHGVKGFRSKYYQE-UHFFFAOYSA-N
XLogP7.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine?
The IUPAC name of [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine (CID 146336050) is [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine.
What is the SMILES notation for [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine?
The canonical SMILES for [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine is NCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)-c1ccccc1C2.
What is the InChIKey of [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine?
The InChIKey is VHGVKGFRSKYYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c33-20-21-16-27(29-18-22-8-4-5-11-25(22)28(29)17-21)23-14-15-32-30(19-23)26-12-6-7-13-31(26)34(32)24-9-2-1-3-10-24/h1-17,19H,18,20,33H2.
What are the key properties of [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine?
[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine has a molecular weight of 436.56 g/mol, XLogP of 7.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine is sourced from PubChem (CID 146336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).