[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol

C38H28N2O2 — CID 58625620

IUPAC[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
SMILESOCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(CO)ccc43)cc2)cc1
InChIInChI=1S/C38H28N2O2/c41-23-25-9-19-37-33(21-25)31-5-1-3-7-35(31)39(37)29-15-11-27(12-16-29)28-13-17-30(18-14-28)40-36-8-4-2-6-32(36)34-22-26(24-42)10-20-38(34)40/h1-22,41-42H,23-24H2
InChIKeyJKVHJZAMJFGVIY-UHFFFAOYSA-N
MW544.65 g/mol
LogP8.53
Rot. Bonds5

About [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol

[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol (PubChem CID 58625620) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol.

Molecular Properties

Compound Name[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
PubChem CID58625620
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
SMILESOCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(CO)ccc43)cc2)cc1
InChIInChI=1S/C38H28N2O2/c41-23-25-9-19-37-33(21-25)31-5-1-3-7-35(31)39(37)29-15-11-27(12-16-29)28-13-17-30(18-14-28)40-36-8-4-2-6-32(36)34-22-26(24-42)10-20-38(34)40/h1-22,41-42H,23-24H2
InChIKeyJKVHJZAMJFGVIY-UHFFFAOYSA-N
XLogP8.53
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol with MolForge

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Related Compounds

9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol?
The IUPAC name of [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol (CID 58625620) is [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol.
What is the SMILES notation for [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol?
The canonical SMILES for [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol is OCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(CO)ccc43)cc2)cc1.
What is the InChIKey of [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol?
The InChIKey is JKVHJZAMJFGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O2/c41-23-25-9-19-37-33(21-25)31-5-1-3-7-35(31)39(37)29-15-11-27(12-16-29)28-13-17-30(18-14-28)40-36-8-4-2-6-32(36)34-22-26(24-42)10-20-38(34)40/h1-22,41-42H,23-24H2.
What are the key properties of [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol?
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol has a molecular weight of 544.65 g/mol, XLogP of 8.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol is sourced from PubChem (CID 58625620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).