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

C44H33N — CID 177063531

IUPAC4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole
SMILESCc1ccccc1-c1c(Cc2ccc(-c3ccccc3)cc2)ccc2c1c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C44H33N/c1-31-12-8-9-17-39(31)43-37(30-32-20-22-35(23-21-32)33-13-4-2-5-14-33)26-29-42-44(43)40-18-10-11-19-41(40)45(42)38-27-24-36(25-28-38)34-15-6-3-7-16-34/h2-29H,30H2,1H3
InChIKeyYQKCLQYTYZBNJD-UHFFFAOYSA-N
MW575.76 g/mol
LogP11.68
Rot. Bonds6

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

4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole (PubChem CID 177063531) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole
PubChem CID177063531
Molecular FormulaC44H33N
Molecular Weight575.76 g/mol
Exact Mass575.26
IUPAC Name4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole
SMILESCc1ccccc1-c1c(Cc2ccc(-c3ccccc3)cc2)ccc2c1c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C44H33N/c1-31-12-8-9-17-39(31)43-37(30-32-20-22-35(23-21-32)33-13-4-2-5-14-33)26-29-42-44(43)40-18-10-11-19-41(40)45(42)38-27-24-36(25-28-38)34-15-6-3-7-16-34/h2-29H,30H2,1H3
InChIKeyYQKCLQYTYZBNJD-UHFFFAOYSA-N
XLogP11.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
9-phenyl-4-[4-[(4-phenylphenyl)methyl]phenyl]carbazole
CID 164569086
9,14-bis(4-phenylphenyl)-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 177063537
ethane;9-[4-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]phenyl]carbazole
CID 143943145
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 166804730
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511
N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
CID 144830813
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole?
The IUPAC name of 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole (CID 177063531) is 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole.
What is the SMILES notation for 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole?
The canonical SMILES for 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole is Cc1ccccc1-c1c(Cc2ccc(-c3ccccc3)cc2)ccc2c1c1ccccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole?
The InChIKey is YQKCLQYTYZBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N/c1-31-12-8-9-17-39(31)43-37(30-32-20-22-35(23-21-32)33-13-4-2-5-14-33)26-29-42-44(43)40-18-10-11-19-41(40)45(42)38-27-24-36(25-28-38)34-15-6-3-7-16-34/h2-29H,30H2,1H3.
What are the key properties of 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole?
4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole has a molecular weight of 575.76 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole is sourced from PubChem (CID 177063531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).