3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C49H36N2 — CID 163618215

IUPAC3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)C=CC=CC1
InChIInChI=1S/C49H36N2/c1-49(29-10-3-11-30-49)38-23-25-39(26-24-38)50-45-19-8-6-17-41(45)43-32-36(21-27-47(43)50)37-22-28-48-44(33-37)42-18-7-9-20-46(42)51(48)40-16-12-15-35(31-40)34-13-4-2-5-14-34/h2-29,31-33H,30H2,1H3
InChIKeyHLUROGUCRSMBAI-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.99
Rot. Bonds5

About 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 163618215) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID163618215
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)C=CC=CC1
InChIInChI=1S/C49H36N2/c1-49(29-10-3-11-30-49)38-23-25-39(26-24-38)50-45-19-8-6-17-41(45)43-32-36(21-27-47(43)50)37-22-28-48-44(33-37)42-18-7-9-20-46(42)51(48)40-16-12-15-35(31-40)34-13-4-2-5-14-34/h2-29,31-33H,30H2,1H3
InChIKeyHLUROGUCRSMBAI-UHFFFAOYSA-N
XLogP12.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9H-carbazol-3-yl)-9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 166670351
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
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 163618215) is 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is CC1(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)C=CC=CC1.
What is the InChIKey of 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is HLUROGUCRSMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(29-10-3-11-30-49)38-23-25-39(26-24-38)50-45-19-8-6-17-41(45)43-32-36(21-27-47(43)50)37-22-28-48-44(33-37)42-18-7-9-20-46(42)51(48)40-16-12-15-35(31-40)34-13-4-2-5-14-34/h2-29,31-33H,30H2,1H3.
What are the key properties of 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 652.84 g/mol, XLogP of 12.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 163618215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).