9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole

C66H50N4 — CID 71232684

IUPAC9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
SMILESCC(C)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(C)C)cc6)ccc54)ccc32)cc1
InChIInChI=1S/C66H50N4/c1-41(2)43-21-27-47(28-22-43)67-59-17-9-7-15-53(59)57-39-49(31-35-65(57)67)69-61-19-11-5-13-51(61)55-37-45(25-33-63(55)69)46-26-34-64-56(38-46)52-14-6-12-20-62(52)70(64)50-32-36-66-58(40-50)54-16-8-10-18-60(54)68(66)48-29-23-44(24-30-48)42(3)4/h5-42H,1-4H3
InChIKeyJWCPWWBOWXFRQA-UHFFFAOYSA-N
MW899.15 g/mol
LogP17.99
Rot. Bonds7

About 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole

9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole (PubChem CID 71232684) has the molecular formula C66H50N4 and a molecular weight of 899.15 g/mol. Its IUPAC name is 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
PubChem CID71232684
Molecular FormulaC66H50N4
Molecular Weight899.15 g/mol
Exact Mass898.40
IUPAC Name9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
SMILESCC(C)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(C)C)cc6)ccc54)ccc32)cc1
InChIInChI=1S/C66H50N4/c1-41(2)43-21-27-47(28-22-43)67-59-17-9-7-15-53(59)57-39-49(31-35-65(57)67)69-61-19-11-5-13-51(61)55-37-45(25-33-63(55)69)46-26-34-64-56(38-46)52-14-6-12-20-62(52)70(64)50-32-36-66-58(40-50)54-16-8-10-18-60(54)68(66)48-29-23-44(24-30-48)42(3)4/h5-42H,1-4H3
InChIKeyJWCPWWBOWXFRQA-UHFFFAOYSA-N
XLogP17.99
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
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
3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
3-phenyl-9-[4-[6-[9-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]carbazol-3-yl]naphthalen-2-yl]phenyl]-6-[4-(4-propan-2-ylphenyl)phenyl]carbazole
CID 139504733
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
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
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole?
The IUPAC name of 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole (CID 71232684) is 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole is CC(C)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(C)C)cc6)ccc54)ccc32)cc1.
What is the InChIKey of 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole?
The InChIKey is JWCPWWBOWXFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4/c1-41(2)43-21-27-47(28-22-43)67-59-17-9-7-15-53(59)57-39-49(31-35-65(57)67)69-61-19-11-5-13-51(61)55-37-45(25-33-63(55)69)46-26-34-64-56(38-46)52-14-6-12-20-62(52)70(64)50-32-36-66-58(40-50)54-16-8-10-18-60(54)68(66)48-29-23-44(24-30-48)42(3)4/h5-42H,1-4H3.
What are the key properties of 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole?
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole has a molecular weight of 899.15 g/mol, XLogP of 17.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 71232684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).