3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole

C47H37N3 — CID 71232623

IUPAC3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC(C)(C)Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C47H37N3/c1-47(2,3)30-48-41-18-10-7-15-35(41)40-29-34(23-26-42(40)48)50-44-20-12-9-17-37(44)39-28-32(22-25-46(39)50)31-21-24-45-38(27-31)36-16-8-11-19-43(36)49(45)33-13-5-4-6-14-33/h4-29H,30H2,1-3H3
InChIKeyDDCYHVZABNJVHC-UHFFFAOYSA-N
MW643.83 g/mol
LogP12.70
Rot. Bonds4

About 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 71232623) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID71232623
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC(C)(C)Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C47H37N3/c1-47(2,3)30-48-41-18-10-7-15-35(41)40-29-34(23-26-42(40)48)50-44-20-12-9-17-37(44)39-28-32(22-25-46(39)50)31-21-24-45-38(27-31)36-16-8-11-19-43(36)49(45)33-13-5-4-6-14-33/h4-29H,30H2,1-3H3
InChIKeyDDCYHVZABNJVHC-UHFFFAOYSA-N
XLogP12.70
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175

Frequently Asked Questions

What is the IUPAC name of 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole (CID 71232623) is 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole is CC(C)(C)Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc21.
What is the InChIKey of 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is DDCYHVZABNJVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-47(2,3)30-48-41-18-10-7-15-35(41)40-29-34(23-26-42(40)48)50-44-20-12-9-17-37(44)39-28-32(22-25-46(39)50)31-21-24-45-38(27-31)36-16-8-11-19-43(36)49(45)33-13-5-4-6-14-33/h4-29H,30H2,1-3H3.
What are the key properties of 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 643.83 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 71232623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).