3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole

C50H37N — CID 166804730

IUPAC3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H37N/c1-35-14-8-9-23-45(35)47-33-41(26-27-43(47)31-36-15-12-20-39(30-36)37-16-4-2-5-17-37)42-28-29-50-48(34-42)46-24-10-11-25-49(46)51(50)44-22-13-21-40(32-44)38-18-6-3-7-19-38/h2-30,32-34H,31H2,1H3
InChIKeyKHSRQAFGLDCHIB-UHFFFAOYSA-N
MW651.85 g/mol
LogP13.35
Rot. Bonds7

About 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole

3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 166804730) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID166804730
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H37N/c1-35-14-8-9-23-45(35)47-33-41(26-27-43(47)31-36-15-12-20-39(30-36)37-16-4-2-5-17-37)42-28-29-50-48(34-42)46-24-10-11-25-49(46)51(50)44-22-13-21-40(32-44)38-18-6-3-7-19-38/h2-30,32-34H,31H2,1H3
InChIKeyKHSRQAFGLDCHIB-UHFFFAOYSA-N
XLogP13.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 163921664
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]carbazole;3-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]-9-phenylcarbazole;9-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 160958681
9-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]carbazole;3-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]-9-phenylcarbazole;9-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole
CID 158008709
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole (CID 166804730) is 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is KHSRQAFGLDCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-35-14-8-9-23-45(35)47-33-41(26-27-43(47)31-36-15-12-20-39(30-36)37-16-4-2-5-17-37)42-28-29-50-48(34-42)46-24-10-11-25-49(46)51(50)44-22-13-21-40(32-44)38-18-6-3-7-19-38/h2-30,32-34H,31H2,1H3.
What are the key properties of 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole?
3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 651.85 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 166804730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).