9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole

C50H36N2 — CID 70879569

IUPAC9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C
InChIInChI=1S/C50H36N2/c1-33-21-25-39(51-47-19-11-9-17-41(47)43-27-23-37(29-49(43)51)35-13-5-3-6-14-35)31-45(33)46-32-40(26-22-34(46)2)52-48-20-12-10-18-42(48)44-28-24-38(30-50(44)52)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeySRUKQWUWONIKIM-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.50
Rot. Bonds5

About 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole

9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole (PubChem CID 70879569) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
PubChem CID70879569
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C
InChIInChI=1S/C50H36N2/c1-33-21-25-39(51-47-19-11-9-17-41(47)43-27-23-37(29-49(43)51)35-13-5-3-6-14-35)31-45(33)46-32-40(26-22-34(46)2)52-48-20-12-10-18-42(48)44-28-24-38(30-50(44)52)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeySRUKQWUWONIKIM-UHFFFAOYSA-N
XLogP13.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135

Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole (CID 70879569) is 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole is Cc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C.
What is the InChIKey of 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole?
The InChIKey is SRUKQWUWONIKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-33-21-25-39(51-47-19-11-9-17-41(47)43-27-23-37(29-49(43)51)35-13-5-3-6-14-35)31-45(33)46-32-40(26-22-34(46)2)52-48-20-12-10-18-42(48)44-28-24-38(30-50(44)52)36-15-7-4-8-16-36/h3-32H,1-2H3.
What are the key properties of 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole?
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole has a molecular weight of 664.85 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole is sourced from PubChem (CID 70879569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).