phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone

C58H37N5O — CID 121276664

IUPACphenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1
InChIInChI=1S/C58H37N5O/c64-55(40-14-4-1-5-15-40)41-28-30-43(31-29-41)57-59-56(42-16-6-2-7-17-42)60-58(61-57)63-52-23-13-11-21-48(52)50-37-45(33-35-54(50)63)39-26-24-38(25-27-39)44-32-34-53-49(36-44)47-20-10-12-22-51(47)62(53)46-18-8-3-9-19-46/h1-37H
InChIKeyDIBSFQUCFXZCRX-UHFFFAOYSA-N
MW819.97 g/mol
LogP13.96
Rot. Bonds8

About phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone

phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone (PubChem CID 121276664) has the molecular formula C58H37N5O and a molecular weight of 819.97 g/mol. Its IUPAC name is phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
PubChem CID121276664
Molecular FormulaC58H37N5O
Molecular Weight819.97 g/mol
Exact Mass819.30
IUPAC Namephenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1
InChIInChI=1S/C58H37N5O/c64-55(40-14-4-1-5-15-40)41-28-30-43(31-29-41)57-59-56(42-16-6-2-7-17-42)60-58(61-57)63-52-23-13-11-21-48(52)50-37-45(33-35-54(50)63)39-26-24-38(25-27-39)44-32-34-53-49(36-44)47-20-10-12-22-51(47)62(53)46-18-8-3-9-19-46/h1-37H
InChIKeyDIBSFQUCFXZCRX-UHFFFAOYSA-N
XLogP13.96
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.97
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
CID 121276792
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone?
The IUPAC name of phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone (CID 121276664) is phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone is O=C(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1.
What is the InChIKey of phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone?
The InChIKey is DIBSFQUCFXZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5O/c64-55(40-14-4-1-5-15-40)41-28-30-43(31-29-41)57-59-56(42-16-6-2-7-17-42)60-58(61-57)63-52-23-13-11-21-48(52)50-37-45(33-35-54(50)63)39-26-24-38(25-27-39)44-32-34-53-49(36-44)47-20-10-12-22-51(47)62(53)46-18-8-3-9-19-46/h1-37H.
What are the key properties of phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone?
phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone has a molecular weight of 819.97 g/mol, XLogP of 13.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone is sourced from PubChem (CID 121276664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).