[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone

C96H84N12O4 — CID 126725459

IUPAC[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone
SMILESCc1c(C(=O)c2cc(C)c3c(c2)c2cc(C(=O)c4c(C)c(C)n(-c5ccccc5)c4C)cc(C)c2n3-c2ncnc(-c3ccccc3-c3ncnc(-n4c5c(C)cc(C(=O)c6c(C)c(C)n(-c7ccccc7)c6C)cc5c5cc(C(O)c6c(C)c(C)n(-c7ccccc7)c6C)cc(C)c54)n3)n2)c(C)n(-c2ccccc2)c1C
InChIInChI=1S/C96H84N12O4/c1-51-41-67(89(109)81-55(5)59(9)103(63(81)13)71-31-21-17-22-32-71)45-77-78-46-68(90(110)82-56(6)60(10)104(64(82)14)72-33-23-18-24-34-72)42-52(2)86(78)107(85(51)77)95-99-49-97-93(101-95)75-39-29-30-40-76(75)94-98-50-100-96(102-94)108-87-53(3)43-69(91(111)83-57(7)61(11)105(65(83)15)73-35-25-19-26-36-73)47-79(87)80-48-70(44-54(4)88(80)108)92(112)84-58(8)62(12)106(66(84)16)74-37-27-20-28-38-74/h17-50,89,109H,1-16H3
InChIKeyDAECFJQKXZPMLK-UHFFFAOYSA-N
MW1469.81 g/mol
LogP20.46
Rot. Bonds16

About [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone

[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone (PubChem CID 126725459) has the molecular formula C96H84N12O4 and a molecular weight of 1469.81 g/mol. Its IUPAC name is [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone
PubChem CID126725459
Molecular FormulaC96H84N12O4
Molecular Weight1469.81 g/mol
Exact Mass1468.67
IUPAC Name[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone
SMILESCc1c(C(=O)c2cc(C)c3c(c2)c2cc(C(=O)c4c(C)c(C)n(-c5ccccc5)c4C)cc(C)c2n3-c2ncnc(-c3ccccc3-c3ncnc(-n4c5c(C)cc(C(=O)c6c(C)c(C)n(-c7ccccc7)c6C)cc5c5cc(C(O)c6c(C)c(C)n(-c7ccccc7)c6C)cc(C)c54)n3)n2)c(C)n(-c2ccccc2)c1C
InChIInChI=1S/C96H84N12O4/c1-51-41-67(89(109)81-55(5)59(9)103(63(81)13)71-31-21-17-22-32-71)45-77-78-46-68(90(110)82-56(6)60(10)104(64(82)14)72-33-23-18-24-34-72)42-52(2)86(78)107(85(51)77)95-99-49-97-93(101-95)75-39-29-30-40-76(75)94-98-50-100-96(102-94)108-87-53(3)43-69(91(111)83-57(7)61(11)105(65(83)15)73-35-25-19-26-36-73)47-79(87)80-48-70(44-54(4)88(80)108)92(112)84-58(8)62(12)106(66(84)16)74-37-27-20-28-38-74/h17-50,89,109H,1-16H3
InChIKeyDAECFJQKXZPMLK-UHFFFAOYSA-N
XLogP20.46
TPSA178.36 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.81
LogP ≤ 520.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone?
The IUPAC name of [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone (CID 126725459) is [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone.
What is the SMILES notation for [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone?
The canonical SMILES for [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone is Cc1c(C(=O)c2cc(C)c3c(c2)c2cc(C(=O)c4c(C)c(C)n(-c5ccccc5)c4C)cc(C)c2n3-c2ncnc(-c3ccccc3-c3ncnc(-n4c5c(C)cc(C(=O)c6c(C)c(C)n(-c7ccccc7)c6C)cc5c5cc(C(O)c6c(C)c(C)n(-c7ccccc7)c6C)cc(C)c54)n3)n2)c(C)n(-c2ccccc2)c1C.
What is the InChIKey of [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone?
The InChIKey is DAECFJQKXZPMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H84N12O4/c1-51-41-67(89(109)81-55(5)59(9)103(63(81)13)71-31-21-17-22-32-71)45-77-78-46-68(90(110)82-56(6)60(10)104(64(82)14)72-33-23-18-24-34-72)42-52(2)86(78)107(85(51)77)95-99-49-97-93(101-95)75-39-29-30-40-76(75)94-98-50-100-96(102-94)108-87-53(3)43-69(91(111)83-57(7)61(11)105(65(83)15)73-35-25-19-26-36-73)47-79(87)80-48-70(44-54(4)88(80)108)92(112)84-58(8)62(12)106(66(84)16)74-37-27-20-28-38-74/h17-50,89,109H,1-16H3.
What are the key properties of [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone?
[9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone has a molecular weight of 1469.81 g/mol, XLogP of 20.46, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-[2-[4-[1,8-dimethyl-3,6-bis(2,4,5-trimethyl-1-phenylpyrrole-3-carbonyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]-6-[hydroxy-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methyl]-1,8-dimethylcarbazol-3-yl]-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)methanone is sourced from PubChem (CID 126725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).