1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole

C76H56N4 — CID 159544666

IUPAC1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
SMILESCc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C.Cc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C
InChIInChI=1S/2C38H28N2/c2*1-23-21-25(29-11-7-13-33-31-9-3-5-15-35(31)39-37(29)33)17-19-27(23)28-20-18-26(22-24(28)2)30-12-8-14-34-32-10-4-6-16-36(32)40-38(30)34/h2*3-22,39-40H,1-2H3
InChIKeyMEQNIZMSIMSXLR-UHFFFAOYSA-N
MW1025.31 g/mol
LogP21.15
Rot. Bonds6

About 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole

1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole (PubChem CID 159544666) has the molecular formula C76H56N4 and a molecular weight of 1025.31 g/mol. Its IUPAC name is 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
PubChem CID159544666
Molecular FormulaC76H56N4
Molecular Weight1025.31 g/mol
Exact Mass1024.45
IUPAC Name1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
SMILESCc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C.Cc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C
InChIInChI=1S/2C38H28N2/c2*1-23-21-25(29-11-7-13-33-31-9-3-5-15-35(31)39-37(29)33)17-19-27(23)28-20-18-26(22-24(28)2)30-12-8-14-34-32-10-4-6-16-36(32)40-38(30)34/h2*3-22,39-40H,1-2H3
InChIKeyMEQNIZMSIMSXLR-UHFFFAOYSA-N
XLogP21.15
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.31
LogP ≤ 521.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
3-(9H-carbazol-1-yl)aniline
CID 67501137
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
1-(4-prop-1-enylphenyl)-9H-carbazole
CID 175584569
1-[4-[1-[4-(9H-carbazol-1-yl)phenyl]-2,2-diphenylethenyl]phenyl]-9H-carbazole
CID 155666000

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole?
The IUPAC name of 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole (CID 159544666) is 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole.
What is the SMILES notation for 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole?
The canonical SMILES for 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole is Cc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C.Cc1cc(-c2cccc3c2[nH]c2ccccc23)ccc1-c1ccc(-c2cccc3c2[nH]c2ccccc23)cc1C.
What is the InChIKey of 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole?
The InChIKey is MEQNIZMSIMSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H28N2/c2*1-23-21-25(29-11-7-13-33-31-9-3-5-15-35(31)39-37(29)33)17-19-27(23)28-20-18-26(22-24(28)2)30-12-8-14-34-32-10-4-6-16-36(32)40-38(30)34/h2*3-22,39-40H,1-2H3.
What are the key properties of 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole?
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole has a molecular weight of 1025.31 g/mol, XLogP of 21.15, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole is sourced from PubChem (CID 159544666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).