9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

C69H58N2 — CID 59464803

IUPAC9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(Cc3ccc(-n4c5ccc(-c6ccc(C)cc6C)cc5c5cc(-c6ccc(C)cc6C)ccc54)cc3)cc2)c(C)c1
InChIInChI=1S/C69H58N2/c1-42-9-25-58(46(5)33-42)52-17-29-66-62(38-52)63-39-53(59-26-10-43(2)34-47(59)6)18-30-67(63)70(66)56-21-13-50(14-22-56)37-51-15-23-57(24-16-51)71-68-31-19-54(60-27-11-44(3)35-48(60)7)40-64(68)65-41-55(20-32-69(65)71)61-28-12-45(4)36-49(61)8/h9-36,38-41H,37H2,1-8H3
InChIKeyJCTLEZFKUITXEI-UHFFFAOYSA-N
MW915.24 g/mol
LogP18.61
Rot. Bonds8

About 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (PubChem CID 59464803) has the molecular formula C69H58N2 and a molecular weight of 915.24 g/mol. Its IUPAC name is 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
PubChem CID59464803
Molecular FormulaC69H58N2
Molecular Weight915.24 g/mol
Exact Mass914.46
IUPAC Name9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(Cc3ccc(-n4c5ccc(-c6ccc(C)cc6C)cc5c5cc(-c6ccc(C)cc6C)ccc54)cc3)cc2)c(C)c1
InChIInChI=1S/C69H58N2/c1-42-9-25-58(46(5)33-42)52-17-29-66-62(38-52)63-39-53(59-26-10-43(2)34-47(59)6)18-30-67(63)70(66)56-21-13-50(14-22-56)37-51-15-23-57(24-16-51)71-68-31-19-54(60-27-11-44(3)35-48(60)7)40-64(68)65-41-55(20-32-69(65)71)61-28-12-45(4)36-49(61)8/h9-36,38-41H,37H2,1-8H3
InChIKeyJCTLEZFKUITXEI-UHFFFAOYSA-N
XLogP18.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.24
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
CID 143119094
3,6-dimethyl-9-[3-methyl-4-[3-methyl-5-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 118968592
3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
CID 146531656
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (CID 59464803) is 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(Cc3ccc(-n4c5ccc(-c6ccc(C)cc6C)cc5c5cc(-c6ccc(C)cc6C)ccc54)cc3)cc2)c(C)c1.
What is the InChIKey of 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The InChIKey is JCTLEZFKUITXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2/c1-42-9-25-58(46(5)33-42)52-17-29-66-62(38-52)63-39-53(59-26-10-43(2)34-47(59)6)18-30-67(63)70(66)56-21-13-50(14-22-56)37-51-15-23-57(24-16-51)71-68-31-19-54(60-27-11-44(3)35-48(60)7)40-64(68)65-41-55(20-32-69(65)71)61-28-12-45(4)36-49(61)8/h9-36,38-41H,37H2,1-8H3.
What are the key properties of 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 915.24 g/mol, XLogP of 18.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]phenyl]methyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 59464803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).