6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole

C60H51N3 — CID 58663485

IUPAC6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc(-n2c3c(c4cc(-c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)c5)ccc42)CCCC3)cc1
InChIInChI=1S/C60H51N3/c1-4-16-46(17-5-1)61-55-25-13-10-22-49(55)52-37-40(28-31-58(52)61)43-34-44(41-29-32-59-53(38-41)50-23-11-14-26-56(50)62(59)47-18-6-2-7-19-47)36-45(35-43)42-30-33-60-54(39-42)51-24-12-15-27-57(51)63(60)48-20-8-3-9-21-48/h1-9,16-21,28-39H,10-15,22-27H2
InChIKeyLXZBPYCLQVTZIY-UHFFFAOYSA-N
MW814.09 g/mol
LogP15.16
Rot. Bonds6

About 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole

6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 58663485) has the molecular formula C60H51N3 and a molecular weight of 814.09 g/mol. Its IUPAC name is 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
PubChem CID58663485
Molecular FormulaC60H51N3
Molecular Weight814.09 g/mol
Exact Mass813.41
IUPAC Name6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc(-n2c3c(c4cc(-c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)c5)ccc42)CCCC3)cc1
InChIInChI=1S/C60H51N3/c1-4-16-46(17-5-1)61-55-25-13-10-22-49(55)52-37-40(28-31-58(52)61)43-34-44(41-29-32-59-53(38-41)50-23-11-14-26-56(50)62(59)47-18-6-2-7-19-47)36-45(35-43)42-30-33-60-54(39-42)51-24-12-15-27-57(51)63(60)48-20-8-3-9-21-48/h1-9,16-21,28-39H,10-15,22-27H2
InChIKeyLXZBPYCLQVTZIY-UHFFFAOYSA-N
XLogP15.16
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.09
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14-(3-carbazol-9-ylphenyl)-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055350
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole
CID 90055724
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
CID 90055114
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
9-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)pyrido[3,4-b]indole
CID 130355772
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
9-(3-phenylphenyl)-3-[9-[3-(4-phenylphenyl)cyclohex-2-en-1-yl]-5,6,7,8-tetrahydrocarbazol-3-yl]carbazole
CID 170077634
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055339

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole (CID 58663485) is 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole is c1ccc(-n2c3c(c4cc(-c5cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)cc(-c6ccc7c(c6)c6c(n7-c7ccccc7)CCCC6)c5)ccc42)CCCC3)cc1.
What is the InChIKey of 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is LXZBPYCLQVTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N3/c1-4-16-46(17-5-1)61-55-25-13-10-22-49(55)52-37-40(28-31-58(52)61)43-34-44(41-29-32-59-53(38-41)50-23-11-14-26-56(50)62(59)47-18-6-2-7-19-47)36-45(35-43)42-30-33-60-54(39-42)51-24-12-15-27-57(51)63(60)48-20-8-3-9-21-48/h1-9,16-21,28-39H,10-15,22-27H2.
What are the key properties of 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole?
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 814.09 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 58663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).