3-pentan-3-yl-9-(2-phenylphenyl)carbazole

C29H27N — CID 175090826

IUPAC3-pentan-3-yl-9-(2-phenylphenyl)carbazole
SMILESCCC(CC)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C29H27N/c1-3-21(4-2)23-18-19-29-26(20-23)25-15-9-11-17-28(25)30(29)27-16-10-8-14-24(27)22-12-6-5-7-13-22/h5-21H,3-4H2,1-2H3
InChIKeyYBHIGKNSAITBLF-UHFFFAOYSA-N
MW389.54 g/mol
LogP8.35
Rot. Bonds5

About 3-pentan-3-yl-9-(2-phenylphenyl)carbazole

3-pentan-3-yl-9-(2-phenylphenyl)carbazole (PubChem CID 175090826) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-pentan-3-yl-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-pentan-3-yl-9-(2-phenylphenyl)carbazole
PubChem CID175090826
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name3-pentan-3-yl-9-(2-phenylphenyl)carbazole
SMILESCCC(CC)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C29H27N/c1-3-21(4-2)23-18-19-29-26(20-23)25-15-9-11-17-28(25)30(29)27-16-10-8-14-24(27)22-12-6-5-7-13-22/h5-21H,3-4H2,1-2H3
InChIKeyYBHIGKNSAITBLF-UHFFFAOYSA-N
XLogP8.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 146334118
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
9,14-bis[2-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063693
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-pentan-3-yl-9-(2-phenylphenyl)carbazole (CID 175090826) is 3-pentan-3-yl-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-pentan-3-yl-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-pentan-3-yl-9-(2-phenylphenyl)carbazole is CCC(CC)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1.
What is the InChIKey of 3-pentan-3-yl-9-(2-phenylphenyl)carbazole?
The InChIKey is YBHIGKNSAITBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-3-21(4-2)23-18-19-29-26(20-23)25-15-9-11-17-28(25)30(29)27-16-10-8-14-24(27)22-12-6-5-7-13-22/h5-21H,3-4H2,1-2H3.
What are the key properties of 3-pentan-3-yl-9-(2-phenylphenyl)carbazole?
3-pentan-3-yl-9-(2-phenylphenyl)carbazole has a molecular weight of 389.54 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 175090826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).