9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole

C67H43N5 — CID 147406745

IUPAC9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
SMILESCc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C67H43N5/c1-42-63(68-53-32-12-2-22-43(53)44-23-3-13-33-54(44)68)65(70-57-36-16-6-26-47(57)48-27-7-17-37-58(48)70)67(72-61-40-20-10-30-51(61)52-31-11-21-41-62(52)72)66(71-59-38-18-8-28-49(59)50-29-9-19-39-60(50)71)64(42)69-55-34-14-4-24-45(55)46-25-5-15-35-56(46)69/h2-41H,1H3
InChIKeyDPUUKBHGIZQHSN-UHFFFAOYSA-N
MW918.12 g/mol
LogP17.48
Rot. Bonds5

About 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole

9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole (PubChem CID 147406745) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
PubChem CID147406745
Molecular FormulaC67H43N5
Molecular Weight918.12 g/mol
Exact Mass917.35
IUPAC Name9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
SMILESCc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C67H43N5/c1-42-63(68-53-32-12-2-22-43(53)44-23-3-13-33-54(44)68)65(70-57-36-16-6-26-47(57)48-27-7-17-37-58(48)70)67(72-61-40-20-10-30-51(61)52-31-11-21-41-62(52)72)66(71-59-38-18-8-28-49(59)50-29-9-19-39-60(50)71)64(42)69-55-34-14-4-24-45(55)46-25-5-15-35-56(46)69/h2-41H,1H3
InChIKeyDPUUKBHGIZQHSN-UHFFFAOYSA-N
XLogP17.48
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.12
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5-tetra(carbazol-9-yl)-6-methylbenzonitrile
CID 152927198
9-(2,6-dimethoxyphenyl)carbazole
CID 58050238
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
2-carbazol-9-ylbenzene-1,3-diamine
CID 122584908
2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 138453630
2,3,4-tri(carbazol-9-yl)-5-isocyano-6-methylbenzonitrile
CID 162506202
3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(carbazol-9-yl)-4-methylbenzonitrile
CID 170001456
2-methyl-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146531108
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
CID 129145906
9-(10-carbazol-9-yl-2,3-diethylanthracen-9-yl)carbazole
CID 143467653
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
CID 135130975

Frequently Asked Questions

What is the IUPAC name of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole?
The IUPAC name of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole (CID 147406745) is 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole.
What is the SMILES notation for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole?
The canonical SMILES for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole is Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole?
The InChIKey is DPUUKBHGIZQHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-42-63(68-53-32-12-2-22-43(53)44-23-3-13-33-54(44)68)65(70-57-36-16-6-26-47(57)48-27-7-17-37-58(48)70)67(72-61-40-20-10-30-51(61)52-31-11-21-41-62(52)72)66(71-59-38-18-8-28-49(59)50-29-9-19-39-60(50)71)64(42)69-55-34-14-4-24-45(55)46-25-5-15-35-56(46)69/h2-41H,1H3.
What are the key properties of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole?
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole has a molecular weight of 918.12 g/mol, XLogP of 17.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole is sourced from PubChem (CID 147406745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).