[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane

C48H32AlN3 — CID 147806531

IUPAC[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane
SMILES[AlH2]n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H30N3.Al.2H/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;;;/h1-30H;;;/q-1;+1;;
InChIKeyHMNSXAPSSVQQFV-UHFFFAOYSA-N
MW677.79 g/mol
LogP11.72
Rot. Bonds4

About [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane

[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane (PubChem CID 147806531) has the molecular formula C48H32AlN3 and a molecular weight of 677.79 g/mol. Its IUPAC name is [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane.

Molecular Properties

Compound Name[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane
PubChem CID147806531
Molecular FormulaC48H32AlN3
Molecular Weight677.79 g/mol
Exact Mass677.24
IUPAC Name[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane
SMILES[AlH2]n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H30N3.Al.2H/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;;;/h1-30H;;;/q-1;+1;;
InChIKeyHMNSXAPSSVQQFV-UHFFFAOYSA-N
XLogP11.72
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.79
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
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
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane?
The IUPAC name of [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane (CID 147806531) is [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane.
What is the SMILES notation for [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane?
The canonical SMILES for [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane is [AlH2]n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane?
The InChIKey is HMNSXAPSSVQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N3.Al.2H/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;;;/h1-30H;;;/q-1;+1;;.
What are the key properties of [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane?
[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane has a molecular weight of 677.79 g/mol, XLogP of 11.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]alumane is sourced from PubChem (CID 147806531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).