9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole

C48H42N2 — CID 118965630

IUPAC9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CCC4CC(CCC2C4)C3)cc1
InChIInChI=1S/C48H42N2/c1-5-13-44-40(9-1)41-10-2-6-14-45(41)49(44)38-25-21-34(22-26-38)48(36-19-17-32-29-33(31-36)18-20-37(48)30-32)35-23-27-39(28-24-35)50-46-15-7-3-11-42(46)43-12-4-8-16-47(43)50/h1-16,21-28,32-33,36-37H,17-20,29-31H2
InChIKeyAVXMCTFZJYKXLS-UHFFFAOYSA-N
MW646.88 g/mol
LogP12.40
Rot. Bonds4

About 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole

9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole (PubChem CID 118965630) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
PubChem CID118965630
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CCC4CC(CCC2C4)C3)cc1
InChIInChI=1S/C48H42N2/c1-5-13-44-40(9-1)41-10-2-6-14-45(41)49(44)38-25-21-34(22-26-38)48(36-19-17-32-29-33(31-36)18-20-37(48)30-32)35-23-27-39(28-24-35)50-46-15-7-3-11-42(46)43-12-4-8-16-47(43)50/h1-16,21-28,32-33,36-37H,17-20,29-31H2
InChIKeyAVXMCTFZJYKXLS-UHFFFAOYSA-N
XLogP12.40
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
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3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
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9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
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9-(2-carbazol-9-ylcyclobutyl)carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]phenyl]carbazole;9-[3-[2-[2-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 165038792
9-[2-[2-(5-carbazol-9-ylpyrimidin-2-yl)-2-adamantyl]pyrimidin-5-yl]carbazole
CID 155332350
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole (CID 118965630) is 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CCC4CC(CCC2C4)C3)cc1.
What is the InChIKey of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole?
The InChIKey is AVXMCTFZJYKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-5-13-44-40(9-1)41-10-2-6-14-45(41)49(44)38-25-21-34(22-26-38)48(36-19-17-32-29-33(31-36)18-20-37(48)30-32)35-23-27-39(28-24-35)50-46-15-7-3-11-42(46)43-12-4-8-16-47(43)50/h1-16,21-28,32-33,36-37H,17-20,29-31H2.
What are the key properties of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole?
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole has a molecular weight of 646.88 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole is sourced from PubChem (CID 118965630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).