4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine

C31H22N2 — CID 175863693

IUPAC4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine
SMILESNc1cc2c(c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c1)-c1ccccc1C2
InChIInChI=1S/C31H22N2/c32-23-17-22-16-20-8-4-5-11-25(20)31(22)27(19-23)21-14-15-30-28(18-21)26-12-6-7-13-29(26)33(30)24-9-2-1-3-10-24/h1-15,17-19H,16,32H2
InChIKeyFXTSLVOMKHURAA-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.60
Rot. Bonds2

About 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine

4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine (PubChem CID 175863693) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine
PubChem CID175863693
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine
SMILESNc1cc2c(c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c1)-c1ccccc1C2
InChIInChI=1S/C31H22N2/c32-23-17-22-16-20-8-4-5-11-25(20)31(22)27(19-23)21-14-15-30-28(18-21)26-12-6-7-13-29(26)33(30)24-9-2-1-3-10-24/h1-15,17-19H,16,32H2
InChIKeyFXTSLVOMKHURAA-UHFFFAOYSA-N
XLogP7.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90321705
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
CID 146336050
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine (CID 175863693) is 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine is Nc1cc2c(c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c1)-c1ccccc1C2.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine?
The InChIKey is FXTSLVOMKHURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c32-23-17-22-16-20-8-4-5-11-25(20)31(22)27(19-23)21-14-15-30-28(18-21)26-12-6-7-13-29(26)33(30)24-9-2-1-3-10-24/h1-15,17-19H,16,32H2.
What are the key properties of 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine?
4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine has a molecular weight of 422.53 g/mol, XLogP of 7.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine is sourced from PubChem (CID 175863693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).