9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole

C40H32N2 — CID 90215527

IUPAC9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole
SMILESCC1(C)C(c2ccccc2)c2ccccc2N1c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C40H32N2/c1-40(2)39(30-12-4-3-5-13-30)35-16-8-11-19-38(35)42(40)32-26-22-29(23-27-32)28-20-24-31(25-21-28)41-36-17-9-6-14-33(36)34-15-7-10-18-37(34)41/h3-27,39H,1-2H3
InChIKeyUCCYCNUALPMEPP-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.51
Rot. Bonds4

About 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole

9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole (PubChem CID 90215527) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole
PubChem CID90215527
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole
SMILESCC1(C)C(c2ccccc2)c2ccccc2N1c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C40H32N2/c1-40(2)39(30-12-4-3-5-13-30)35-16-8-11-19-38(35)42(40)32-26-22-29(23-27-32)28-20-24-31(25-21-28)41-36-17-9-6-14-33(36)34-15-7-10-18-37(34)41/h3-27,39H,1-2H3
InChIKeyUCCYCNUALPMEPP-UHFFFAOYSA-N
XLogP10.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
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3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
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3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
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3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
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9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
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CID 158377312

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole (CID 90215527) is 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole is CC1(C)C(c2ccccc2)c2ccccc2N1c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole?
The InChIKey is UCCYCNUALPMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-40(2)39(30-12-4-3-5-13-30)35-16-8-11-19-38(35)42(40)32-26-22-29(23-27-32)28-20-24-31(25-21-28)41-36-17-9-6-14-33(36)34-15-7-10-18-37(34)41/h3-27,39H,1-2H3.
What are the key properties of 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole?
9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole has a molecular weight of 540.71 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,2-dimethyl-3-phenyl-3H-indol-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 90215527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).