3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C78H58N4 — CID 159486702

IUPAC3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(C6CC6)ccc4n5-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7cc(C9CC9)ccc7n8-c7ccccc7)cc6c6cc(C7CC7)ccc65)c4)cc3c3cc(C4CC4)ccc32)cc1
InChIInChI=1S/C78H58N4/c1-3-8-59(9-4-1)79-71-30-22-51(47-14-15-47)38-63(71)67-42-55(26-34-73(67)79)57-28-36-77-69(44-57)65-40-53(49-18-19-49)24-32-75(65)81(77)61-12-7-13-62(46-61)82-76-33-25-54(50-20-21-50)41-66(76)70-45-58(29-37-78(70)82)56-27-35-74-68(43-56)64-39-52(48-16-17-48)23-31-72(64)80(74)60-10-5-2-6-11-60/h1-13,22-50H,14-21H2
InChIKeyLXRDOVKXGDAFDH-UHFFFAOYSA-N
MW1051.35 g/mol
LogP20.92
Rot. Bonds10

About 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 159486702) has the molecular formula C78H58N4 and a molecular weight of 1051.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID159486702
Molecular FormulaC78H58N4
Molecular Weight1051.35 g/mol
Exact Mass1050.47
IUPAC Name3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(C6CC6)ccc4n5-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7cc(C9CC9)ccc7n8-c7ccccc7)cc6c6cc(C7CC7)ccc65)c4)cc3c3cc(C4CC4)ccc32)cc1
InChIInChI=1S/C78H58N4/c1-3-8-59(9-4-1)79-71-30-22-51(47-14-15-47)38-63(71)67-42-55(26-34-73(67)79)57-28-36-77-69(44-57)65-40-53(49-18-19-49)24-32-75(65)81(77)61-12-7-13-62(46-61)82-76-33-25-54(50-20-21-50)41-66(76)70-45-58(29-37-78(70)82)56-27-35-74-68(43-56)64-39-52(48-16-17-48)23-31-72(64)80(74)60-10-5-2-6-11-60/h1-13,22-50H,14-21H2
InChIKeyLXRDOVKXGDAFDH-UHFFFAOYSA-N
XLogP20.92
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.35
LogP ≤ 520.92
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
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[9-[4-(3-pentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),3,9-trienyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 177145381
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
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
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779818

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 159486702) is 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(C6CC6)ccc4n5-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7cc(C9CC9)ccc7n8-c7ccccc7)cc6c6cc(C7CC7)ccc65)c4)cc3c3cc(C4CC4)ccc32)cc1.
What is the InChIKey of 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is LXRDOVKXGDAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N4/c1-3-8-59(9-4-1)79-71-30-22-51(47-14-15-47)38-63(71)67-42-55(26-34-73(67)79)57-28-36-77-69(44-57)65-40-53(49-18-19-49)24-32-75(65)81(77)61-12-7-13-62(46-61)82-76-33-25-54(50-20-21-50)41-66(76)70-45-58(29-37-78(70)82)56-27-35-74-68(43-56)64-39-52(48-16-17-48)23-31-72(64)80(74)60-10-5-2-6-11-60/h1-13,22-50H,14-21H2.
What are the key properties of 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1051.35 g/mol, XLogP of 20.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 159486702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).