3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C98H68N4 — CID 160753219

IUPAC3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)cc1.Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)c1
InChIInChI=1S/2C49H34N2/c1-33-11-9-12-35(29-33)37-14-10-13-36(30-37)34-21-25-41(26-22-34)51-47-20-8-6-18-43(47)45-32-39(24-28-49(45)51)38-23-27-48-44(31-38)42-17-5-7-19-46(42)50(48)40-15-3-2-4-16-40;1-33-18-20-34(21-19-33)36-10-9-11-37(30-36)35-22-26-41(27-23-35)51-47-17-8-6-15-43(47)45-32-39(25-29-49(45)51)38-24-28-48-44(31-38)42-14-5-7-16-46(42)50(48)40-12-3-2-4-13-40/h2*2-32H,1H3
InChIKeyRXCBOLWWDSQWCY-UHFFFAOYSA-N
MW1301.65 g/mol
LogP26.38
Rot. Bonds10

About 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 160753219) has the molecular formula C98H68N4 and a molecular weight of 1301.65 g/mol. Its IUPAC name is 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID160753219
Molecular FormulaC98H68N4
Molecular Weight1301.65 g/mol
Exact Mass1300.54
IUPAC Name3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)cc1.Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)c1
InChIInChI=1S/2C49H34N2/c1-33-11-9-12-35(29-33)37-14-10-13-36(30-37)34-21-25-41(26-22-34)51-47-20-8-6-18-43(47)45-32-39(24-28-49(45)51)38-23-27-48-44(31-38)42-17-5-7-19-46(42)50(48)40-15-3-2-4-16-40;1-33-18-20-34(21-19-33)36-10-9-11-37(30-36)35-22-26-41(27-23-35)51-47-17-8-6-15-43(47)45-32-39(25-29-49(45)51)38-24-28-48-44(31-38)42-14-5-7-16-46(42)50(48)40-12-3-2-4-13-40/h2*2-32H,1H3
InChIKeyRXCBOLWWDSQWCY-UHFFFAOYSA-N
XLogP26.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.65
LogP ≤ 526.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
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-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 160753219) is 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is Cc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)cc1.Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)c1.
What is the InChIKey of 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RXCBOLWWDSQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H34N2/c1-33-11-9-12-35(29-33)37-14-10-13-36(30-37)34-21-25-41(26-22-34)51-47-20-8-6-18-43(47)45-32-39(24-28-49(45)51)38-23-27-48-44(31-38)42-17-5-7-19-46(42)50(48)40-15-3-2-4-16-40;1-33-18-20-34(21-19-33)36-10-9-11-37(30-36)35-22-26-41(27-23-35)51-47-17-8-6-15-43(47)45-32-39(25-29-49(45)51)38-24-28-48-44(31-38)42-14-5-7-16-46(42)50(48)40-12-3-2-4-13-40/h2*2-32H,1H3.
What are the key properties of 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1301.65 g/mol, XLogP of 26.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 160753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).