4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole

C66H42N4 — CID 170386628

IUPAC4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc32)cc1
InChIInChI=1S/C66H42N4/c1-3-19-45(20-4-1)67-55-29-11-7-23-49(55)51-39-37-43(41-63(51)67)47-27-17-35-61-65(47)53-25-9-13-31-57(53)69(61)59-33-15-16-34-60(59)70-58-32-14-10-26-54(58)66-48(28-18-36-62(66)70)44-38-40-52-50-24-8-12-30-56(50)68(64(52)42-44)46-21-5-2-6-22-46/h1-42H
InChIKeyPCJZZECIYWMWOJ-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.41
Rot. Bonds6

About 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole

4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole (PubChem CID 170386628) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
PubChem CID170386628
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc32)cc1
InChIInChI=1S/C66H42N4/c1-3-19-45(20-4-1)67-55-29-11-7-23-49(55)51-39-37-43(41-63(51)67)47-27-17-35-61-65(47)53-25-9-13-31-57(53)69(61)59-33-15-16-34-60(59)70-58-32-14-10-26-54(58)66-48(28-18-36-62(66)70)44-38-40-52-50-24-8-12-30-56(50)68(64(52)42-44)46-21-5-2-6-22-46/h1-42H
InChIKeyPCJZZECIYWMWOJ-UHFFFAOYSA-N
XLogP17.41
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole?
The IUPAC name of 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole (CID 170386628) is 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc32)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole?
The InChIKey is PCJZZECIYWMWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-3-19-45(20-4-1)67-55-29-11-7-23-49(55)51-39-37-43(41-63(51)67)47-27-17-35-61-65(47)53-25-9-13-31-57(53)69(61)59-33-15-16-34-60(59)70-58-32-14-10-26-54(58)66-48(28-18-36-62(66)70)44-38-40-52-50-24-8-12-30-56(50)68(64(52)42-44)46-21-5-2-6-22-46/h1-42H.
What are the key properties of 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole?
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole has a molecular weight of 891.09 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 170386628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).