6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole

C49H33N3 — CID 126630373

IUPAC6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3/c1-50-44-21-10-8-17-38(44)41-29-32(23-26-45(41)50)33-24-27-48-43(30-33)40-20-12-19-37(49(40)52(48)36-15-6-3-7-16-36)34-25-28-47-42(31-34)39-18-9-11-22-46(39)51(47)35-13-4-2-5-14-35/h2-31H,1H3
InChIKeyBMYXWXOYUIECKN-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.86
Rot. Bonds4

About 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole

6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126630373) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
PubChem CID126630373
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3/c1-50-44-21-10-8-17-38(44)41-29-32(23-26-45(41)50)33-24-27-48-43(30-33)40-20-12-19-37(49(40)52(48)36-15-6-3-7-16-36)34-25-28-47-42(31-34)39-18-9-11-22-46(39)51(47)35-13-4-2-5-14-35/h2-31H,1H3
InChIKeyBMYXWXOYUIECKN-UHFFFAOYSA-N
XLogP12.86
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
CID 144919758
benzene;3-(9-methylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole;9-methyl-5-(9-phenylcarbazol-2-yl)-3-(9-phenylcarbazol-3-yl)carbazole
CID 160731182
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
CID 126630361
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986

Frequently Asked Questions

What is the IUPAC name of 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole (CID 126630373) is 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3n4-c3ccccc3)ccc21.
What is the InChIKey of 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is BMYXWXOYUIECKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-50-44-21-10-8-17-38(44)41-29-32(23-26-45(41)50)33-24-27-48-43(30-33)40-20-12-19-37(49(40)52(48)36-15-6-3-7-16-36)34-25-28-47-42(31-34)39-18-9-11-22-46(39)51(47)35-13-4-2-5-14-35/h2-31H,1H3.
What are the key properties of 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole?
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 663.82 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126630373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).