3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole

C45H34N2 — CID 162480023

IUPAC3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C45H34N2/c1-45(2,33-16-7-4-8-17-33)34-18-13-19-35(29-34)46-43-26-24-32(31-14-5-3-6-15-31)28-39(43)40-30-36(25-27-44(40)46)47-41-22-11-9-20-37(41)38-21-10-12-23-42(38)47/h3-30H,1-2H3
InChIKeySKPWPCPQSYEOIN-UHFFFAOYSA-N
MW602.78 g/mol
LogP11.87
Rot. Bonds5

About 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole

3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole (PubChem CID 162480023) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
PubChem CID162480023
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C45H34N2/c1-45(2,33-16-7-4-8-17-33)34-18-13-19-35(29-34)46-43-26-24-32(31-14-5-3-6-15-31)28-39(43)40-30-36(25-27-44(40)46)47-41-22-11-9-20-37(41)38-21-10-12-23-42(38)47/h3-30H,1-2H3
InChIKeySKPWPCPQSYEOIN-UHFFFAOYSA-N
XLogP11.87
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole (CID 162480023) is 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole is CC(C)(c1ccccc1)c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole?
The InChIKey is SKPWPCPQSYEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-45(2,33-16-7-4-8-17-33)34-18-13-19-35(29-34)46-43-26-24-32(31-14-5-3-6-15-31)28-39(43)40-30-36(25-27-44(40)46)47-41-22-11-9-20-37(41)38-21-10-12-23-42(38)47/h3-30H,1-2H3.
What are the key properties of 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole?
3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole has a molecular weight of 602.78 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole is sourced from PubChem (CID 162480023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).