6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole

C84H53I2N5 — CID 126517738

IUPAC6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole
SMILESCc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccc(-c6ccccc6-c6ccc(-c7cccc8c9ccccc9n(C9=CC=IC=C9)c78)cc6)cc4n5I)cc32)c1
InChIInChI=1S/C84H53I2N5/c1-52-14-12-15-59(46-52)89-80-40-35-60(87-75-24-8-4-18-65(75)66-19-5-9-25-76(66)87)50-73(80)69-37-32-56(48-82(69)89)55-34-39-79-72(47-55)68-21-7-10-26-77(68)88(79)61-36-41-81-74(51-61)70-38-33-57(49-83(70)91(81)85)63-17-3-2-16-62(63)53-28-30-54(31-29-53)64-22-13-23-71-67-20-6-11-27-78(67)90(84(64)71)58-42-44-86-45-43-58/h2-51H,1H3
InChIKeyRSEQNNJESISZEK-UHFFFAOYSA-N
MW1386.19 g/mol
LogP23.51
Rot. Bonds8

About 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole

6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole (PubChem CID 126517738) has the molecular formula C84H53I2N5 and a molecular weight of 1386.19 g/mol. Its IUPAC name is 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole
PubChem CID126517738
Molecular FormulaC84H53I2N5
Molecular Weight1386.19 g/mol
Exact Mass1385.24
IUPAC Name6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole
SMILESCc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccc(-c6ccccc6-c6ccc(-c7cccc8c9ccccc9n(C9=CC=IC=C9)c78)cc6)cc4n5I)cc32)c1
InChIInChI=1S/C84H53I2N5/c1-52-14-12-15-59(46-52)89-80-40-35-60(87-75-24-8-4-18-65(75)66-19-5-9-25-76(66)87)50-73(80)69-37-32-56(48-82(69)89)55-34-39-79-72(47-55)68-21-7-10-26-77(68)88(79)61-36-41-81-74(51-61)70-38-33-57(49-83(70)91(81)85)63-17-3-2-16-62(63)53-28-30-54(31-29-53)64-22-13-23-71-67-20-6-11-27-78(67)90(84(64)71)58-42-44-86-45-43-58/h2-51H,1H3
InChIKeyRSEQNNJESISZEK-UHFFFAOYSA-N
XLogP23.51
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.19
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole with MolForge

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Related Compounds

6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
CID 144919758
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
12-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)-2-[2-[12-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)-[1]benzothiolo[2,3-a]carbazol-9-yl]-12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzofuro[2,3-a]carbazole
CID 163855017
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
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
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole?
The IUPAC name of 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole (CID 126517738) is 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole.
What is the SMILES notation for 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole?
The canonical SMILES for 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole is Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccc(-c6ccccc6-c6ccc(-c7cccc8c9ccccc9n(C9=CC=IC=C9)c78)cc6)cc4n5I)cc32)c1.
What is the InChIKey of 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole?
The InChIKey is RSEQNNJESISZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53I2N5/c1-52-14-12-15-59(46-52)89-80-40-35-60(87-75-24-8-4-18-65(75)66-19-5-9-25-76(66)87)50-73(80)69-37-32-56(48-82(69)89)55-34-39-79-72(47-55)68-21-7-10-26-77(68)88(79)61-36-41-81-74(51-61)70-38-33-57(49-83(70)91(81)85)63-17-3-2-16-62(63)53-28-30-54(31-29-53)64-22-13-23-71-67-20-6-11-27-78(67)90(84(64)71)58-42-44-86-45-43-58/h2-51H,1H3.
What are the key properties of 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole?
6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole has a molecular weight of 1386.19 g/mol, XLogP of 23.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-2-[9-[9-iodo-7-[2-[4-[9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazol-1-yl]phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-(3-methylphenyl)carbazole is sourced from PubChem (CID 126517738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).