9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole

C42H32N2 — CID 58489426

IUPAC9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C42H32N2/c1-29-14-18-32(19-15-29)39-26-27-40(33-20-16-30(2)17-21-33)43(39)35-24-22-31(23-25-35)34-8-7-9-36(28-34)44-41-12-5-3-10-37(41)38-11-4-6-13-42(38)44/h3-28H,1-2H3
InChIKeyOYIJQEXPDQRKEF-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.19
Rot. Bonds5

About 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole

9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole (PubChem CID 58489426) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole
PubChem CID58489426
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C42H32N2/c1-29-14-18-32(19-15-29)39-26-27-40(33-20-16-30(2)17-21-33)43(39)35-24-22-31(23-25-35)34-8-7-9-36(28-34)44-41-12-5-3-10-37(41)38-11-4-6-13-42(38)44/h3-28H,1-2H3
InChIKeyOYIJQEXPDQRKEF-UHFFFAOYSA-N
XLogP11.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[3-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 58489442
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
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
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
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-(4-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-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
CID 126501127
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole (CID 58489426) is 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole is Cc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole?
The InChIKey is OYIJQEXPDQRKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-29-14-18-32(19-15-29)39-26-27-40(33-20-16-30(2)17-21-33)43(39)35-24-22-31(23-25-35)34-8-7-9-36(28-34)44-41-12-5-3-10-37(41)38-11-4-6-13-42(38)44/h3-28H,1-2H3.
What are the key properties of 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole?
9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole has a molecular weight of 564.73 g/mol, XLogP of 11.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58489426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).