10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

C63H39N9 — CID 90091207

IUPAC10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1
InChIInChI=1S/C63H39N9/c1-4-16-43(17-5-1)67-37-34-40-28-31-49-46-22-10-13-25-52(46)70(58(49)55(40)67)61-64-62(71-53-26-14-11-23-47(53)50-32-29-41-35-38-68(56(41)59(50)71)44-18-6-2-7-19-44)66-63(65-61)72-54-27-15-12-24-48(54)51-33-30-42-36-39-69(57(42)60(51)72)45-20-8-3-9-21-45/h1-39H
InChIKeyQPALNPPHPJKMOM-UHFFFAOYSA-N
MW922.07 g/mol
LogP14.99
Rot. Bonds6

About 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (PubChem CID 90091207) has the molecular formula C63H39N9 and a molecular weight of 922.07 g/mol. Its IUPAC name is 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
PubChem CID90091207
Molecular FormulaC63H39N9
Molecular Weight922.07 g/mol
Exact Mass921.33
IUPAC Name10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1
InChIInChI=1S/C63H39N9/c1-4-16-43(17-5-1)67-37-34-40-28-31-49-46-22-10-13-25-52(46)70(58(49)55(40)67)61-64-62(71-53-26-14-11-23-47(53)50-32-29-41-35-38-68(56(41)59(50)71)44-18-6-2-7-19-44)66-63(65-61)72-54-27-15-12-24-48(54)51-33-30-42-36-39-69(57(42)60(51)72)45-20-8-3-9-21-45/h1-39H
InChIKeyQPALNPPHPJKMOM-UHFFFAOYSA-N
XLogP14.99
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.07
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (CID 90091207) is 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1.
What is the InChIKey of 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The InChIKey is QPALNPPHPJKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N9/c1-4-16-43(17-5-1)67-37-34-40-28-31-49-46-22-10-13-25-52(46)70(58(49)55(40)67)61-64-62(71-53-26-14-11-23-47(53)50-32-29-41-35-38-68(56(41)59(50)71)44-18-6-2-7-19-44)66-63(65-61)72-54-27-15-12-24-48(54)51-33-30-42-36-39-69(57(42)60(51)72)45-20-8-3-9-21-45/h1-39H.
What are the key properties of 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 922.07 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-bis(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90091207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).