9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole

C63H46N4 — CID 126628162

IUPAC9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(C4=NC(c5cccc(-n6c7ccccc7c7ccccc76)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1
InChIInChI=1S/C63H46N4/c1-3-15-43(16-4-1)49-19-11-21-51(39-49)45-31-35-47(36-32-45)61-64-62(66-63(65-61)55-25-14-26-56(42-55)67-59-29-9-7-27-57(59)58-28-8-10-30-60(58)67)48-37-33-46(34-38-48)52-22-13-24-54(41-52)53-23-12-20-50(40-53)44-17-5-2-6-18-44/h1-42,62-63,66H,(H,64,65)
InChIKeyKLDKKKAECOFAFF-UHFFFAOYSA-N
MW859.09 g/mol
LogP15.46
Rot. Bonds9

About 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole

9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole (PubChem CID 126628162) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
PubChem CID126628162
Molecular FormulaC63H46N4
Molecular Weight859.09 g/mol
Exact Mass858.37
IUPAC Name9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(C4=NC(c5cccc(-n6c7ccccc7c7ccccc76)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1
InChIInChI=1S/C63H46N4/c1-3-15-43(16-4-1)49-19-11-21-51(39-49)45-31-35-47(36-32-45)61-64-62(66-63(65-61)55-25-14-26-56(42-55)67-59-29-9-7-27-57(59)58-28-8-10-30-60(58)67)48-37-33-46(34-38-48)52-22-13-24-54(41-52)53-23-12-20-50(40-53)44-17-5-2-6-18-44/h1-42,62-63,66H,(H,64,65)
InChIKeyKLDKKKAECOFAFF-UHFFFAOYSA-N
XLogP15.46
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.09
LogP ≤ 515.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
9-[16-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 146664854
11-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-2-yl)benzo[b][1]benzazepine
CID 137010820
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole (CID 126628162) is 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(C4=NC(c5cccc(-n6c7ccccc7c7ccccc76)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1.
What is the InChIKey of 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The InChIKey is KLDKKKAECOFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-3-15-43(16-4-1)49-19-11-21-51(39-49)45-31-35-47(36-32-45)61-64-62(66-63(65-61)55-25-14-26-56(42-55)67-59-29-9-7-27-57(59)58-28-8-10-30-60(58)67)48-37-33-46(34-38-48)52-22-13-24-54(41-52)53-23-12-20-50(40-53)44-17-5-2-6-18-44/h1-42,62-63,66H,(H,64,65).
What are the key properties of 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole?
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole has a molecular weight of 859.09 g/mol, XLogP of 15.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole is sourced from PubChem (CID 126628162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).