9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole

C35H33N — CID 143975285

IUPAC9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole
SMILESCC(c1ccccc1)C1C=C2C(=CC1)C1=C(CC(n3c4ccccc4c4ccccc43)C=C1)C2(C)C
InChIInChI=1S/C35H33N/c1-23(24-11-5-4-6-12-24)25-17-19-27-28-20-18-26(22-32(28)35(2,3)31(27)21-25)36-33-15-9-7-13-29(33)30-14-8-10-16-34(30)36/h4-16,18-21,23,25-26H,17,22H2,1-3H3
InChIKeyJZNJJNOXZVSUJB-UHFFFAOYSA-N
MW467.66 g/mol
LogP9.31
Rot. Bonds3

About 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole

9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole (PubChem CID 143975285) has the molecular formula C35H33N and a molecular weight of 467.66 g/mol. Its IUPAC name is 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole
PubChem CID143975285
Molecular FormulaC35H33N
Molecular Weight467.66 g/mol
Exact Mass467.26
IUPAC Name9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole
SMILESCC(c1ccccc1)C1C=C2C(=CC1)C1=C(CC(n3c4ccccc4c4ccccc43)C=C1)C2(C)C
InChIInChI=1S/C35H33N/c1-23(24-11-5-4-6-12-24)25-17-19-27-28-20-18-26(22-32(28)35(2,3)31(27)21-25)36-33-15-9-7-13-29(33)30-14-8-10-16-34(30)36/h4-16,18-21,23,25-26H,17,22H2,1-3H3
InChIKeyJZNJJNOXZVSUJB-UHFFFAOYSA-N
XLogP9.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole?
The IUPAC name of 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole (CID 143975285) is 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole.
What is the SMILES notation for 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole?
The canonical SMILES for 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole is CC(c1ccccc1)C1C=C2C(=CC1)C1=C(CC(n3c4ccccc4c4ccccc43)C=C1)C2(C)C.
What is the InChIKey of 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole?
The InChIKey is JZNJJNOXZVSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N/c1-23(24-11-5-4-6-12-24)25-17-19-27-28-20-18-26(22-32(28)35(2,3)31(27)21-25)36-33-15-9-7-13-29(33)30-14-8-10-16-34(30)36/h4-16,18-21,23,25-26H,17,22H2,1-3H3.
What are the key properties of 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole?
9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole has a molecular weight of 467.66 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-dimethyl-7-(1-phenylethyl)-1,2,6,7-tetrahydrofluoren-2-yl]carbazole is sourced from PubChem (CID 143975285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).