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

C118H100N8 — CID 164959111

IUPAC9-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
SMILESCC(C)(C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H31N3.C34H28N2.C28H24N2.C16H17N/c1-40(2,3)43-38-22-20-26(41-34-16-8-4-12-28(34)29-13-5-9-17-35(29)41)24-32(38)33-25-27(21-23-39(33)43)42-36-18-10-6-14-30(36)31-15-7-11-19-37(31)42;1-34(2,3)36-32-16-10-8-14-27(32)29-22-24(18-20-33(29)36)23-17-19-31-28(21-23)26-13-7-9-15-30(26)35(31)25-11-5-4-6-12-25;1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-25H,1-3H3;4-22H,1-3H3;4-18H,1-3H3;4-11H,1-3H3
InChIKeyBOSALGZBMYMCLB-UHFFFAOYSA-N
MW1630.15 g/mol
LogP32.25
Rot. Bonds5

About 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

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 (PubChem CID 164959111) has the molecular formula C118H100N8 and a molecular weight of 1630.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID164959111
Molecular FormulaC118H100N8
Molecular Weight1630.15 g/mol
Exact Mass1628.81
IUPAC Name9-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
SMILESCC(C)(C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H31N3.C34H28N2.C28H24N2.C16H17N/c1-40(2,3)43-38-22-20-26(41-34-16-8-4-12-28(34)29-13-5-9-17-35(29)41)24-32(38)33-25-27(21-23-39(33)43)42-36-18-10-6-14-30(36)31-15-7-11-19-37(31)42;1-34(2,3)36-32-16-10-8-14-27(32)29-22-24(18-20-33(29)36)23-17-19-31-28(21-23)26-13-7-9-15-30(26)35(31)25-11-5-4-6-12-25;1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-25H,1-3H3;4-22H,1-3H3;4-18H,1-3H3;4-11H,1-3H3
InChIKeyBOSALGZBMYMCLB-UHFFFAOYSA-N
XLogP32.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001630.15
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-2-yl)-9-phenylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole
CID 158518271
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-2-yl)-9-phenylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;methane
CID 158054599
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
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-[9-(2,2-dimethylpropyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 71232623
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is BOSALGZBMYMCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3.C34H28N2.C28H24N2.C16H17N/c1-40(2,3)43-38-22-20-26(41-34-16-8-4-12-28(34)29-13-5-9-17-35(29)41)24-32(38)33-25-27(21-23-39(33)43)42-36-18-10-6-14-30(36)31-15-7-11-19-37(31)42;1-34(2,3)36-32-16-10-8-14-27(32)29-22-24(18-20-33(29)36)23-17-19-31-28(21-23)26-13-7-9-15-30(26)35(31)25-11-5-4-6-12-25;1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-25H,1-3H3;4-22H,1-3H3;4-18H,1-3H3;4-11H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1630.15 g/mol, XLogP of 32.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164959111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).