1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole

C38H44N2 — CID 59227870

IUPAC1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole
SMILESCC1(C)CCC(C)(C)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H44N2/c1-35(2)20-22-37(5,6)33-31(35)27-16-9-11-18-29(27)39(33)25-14-13-15-26(24-25)40-30-19-12-10-17-28(30)32-34(40)38(7,8)23-21-36(32,3)4/h9-19,24H,20-23H2,1-8H3
InChIKeyZTYQIHFQSJQKMH-UHFFFAOYSA-N
MW528.78 g/mol
LogP10.27
Rot. Bonds2

About 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole

1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole (PubChem CID 59227870) has the molecular formula C38H44N2 and a molecular weight of 528.78 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole
PubChem CID59227870
Molecular FormulaC38H44N2
Molecular Weight528.78 g/mol
Exact Mass528.35
IUPAC Name1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole
SMILESCC1(C)CCC(C)(C)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H44N2/c1-35(2)20-22-37(5,6)33-31(35)27-16-9-11-18-29(27)39(33)25-14-13-15-26(24-25)40-30-19-12-10-17-28(30)32-34(40)38(7,8)23-21-36(32,3)4/h9-19,24H,20-23H2,1-8H3
InChIKeyZTYQIHFQSJQKMH-UHFFFAOYSA-N
XLogP10.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.78
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole
CID 59227881
9-(3-carbazol-9-ylphenyl)carbazole;methane
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CID 130311185
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
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3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
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5,11-bis(3-ethylphenyl)indolo[3,2-b]carbazole
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5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole
CID 170278908
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
CID 174138943
CID 174138943

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole?
The IUPAC name of 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole (CID 59227870) is 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole.
What is the SMILES notation for 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole?
The canonical SMILES for 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole is CC1(C)CCC(C)(C)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole?
The InChIKey is ZTYQIHFQSJQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2/c1-35(2)20-22-37(5,6)33-31(35)27-16-9-11-18-29(27)39(33)25-14-13-15-26(24-25)40-30-19-12-10-17-28(30)32-34(40)38(7,8)23-21-36(32,3)4/h9-19,24H,20-23H2,1-8H3.
What are the key properties of 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole?
1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole has a molecular weight of 528.78 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-9-[3-(1,1,4,4-tetramethyl-2,3-dihydrocarbazol-9-yl)phenyl]-2,3-dihydrocarbazole is sourced from PubChem (CID 59227870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).