3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole

C67H45N5 — CID 137446708

IUPAC3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
SMILESCC12C=CC=C(n3c4ccccc4c4ccccc43)C1N(c1ccc3c(c1)c1cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)ccc1n3-c1ccccc1)c1ccccc12
InChIInChI=1S/C67H45N5/c1-67-40-18-35-64(72-58-31-14-7-23-48(58)49-24-8-15-32-59(49)72)66(67)70(62-33-16-10-27-54(62)67)45-37-39-61-53(42-45)52-41-44(36-38-60(52)68(61)43-19-3-2-4-20-43)69-55-28-11-9-25-50(55)51-26-17-34-63(65(51)69)71-56-29-12-5-21-46(56)47-22-6-13-30-57(47)71/h2-42,66H,1H3
InChIKeyRRUVOAIRCABFKM-UHFFFAOYSA-N
MW920.13 g/mol
LogP16.97
Rot. Bonds5

About 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole

3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole (PubChem CID 137446708) has the molecular formula C67H45N5 and a molecular weight of 920.13 g/mol. Its IUPAC name is 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
PubChem CID137446708
Molecular FormulaC67H45N5
Molecular Weight920.13 g/mol
Exact Mass919.37
IUPAC Name3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
SMILESCC12C=CC=C(n3c4ccccc4c4ccccc43)C1N(c1ccc3c(c1)c1cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)ccc1n3-c1ccccc1)c1ccccc12
InChIInChI=1S/C67H45N5/c1-67-40-18-35-64(72-58-31-14-7-23-48(58)49-24-8-15-32-59(49)72)66(67)70(62-33-16-10-27-54(62)67)45-37-39-61-53(42-45)52-41-44(36-38-60(52)68(61)43-19-3-2-4-20-43)69-55-28-11-9-25-50(55)51-26-17-34-63(65(51)69)71-56-29-12-5-21-46(56)47-22-6-13-30-57(47)71/h2-42,66H,1H3
InChIKeyRRUVOAIRCABFKM-UHFFFAOYSA-N
XLogP16.97
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.13
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 165037523
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane
CID 162243824
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[3-(4b-methyl-8aH-carbazol-9-yl)-5-carbazol-9-ylphenyl]carbazole
CID 91518473
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole (CID 137446708) is 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole is CC12C=CC=C(n3c4ccccc4c4ccccc43)C1N(c1ccc3c(c1)c1cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)ccc1n3-c1ccccc1)c1ccccc12.
What is the InChIKey of 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole?
The InChIKey is RRUVOAIRCABFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N5/c1-67-40-18-35-64(72-58-31-14-7-23-48(58)49-24-8-15-32-59(49)72)66(67)70(62-33-16-10-27-54(62)67)45-37-39-61-53(42-45)52-41-44(36-38-60(52)68(61)43-19-3-2-4-20-43)69-55-28-11-9-25-50(55)51-26-17-34-63(65(51)69)71-56-29-12-5-21-46(56)47-22-6-13-30-57(47)71/h2-42,66H,1H3.
What are the key properties of 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole?
3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole has a molecular weight of 920.13 g/mol, XLogP of 16.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 137446708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).