3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole

C45H35N5 — CID 126700298

IUPAC3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
SMILESC1=C(C2N=C(c3ccccc3)NC(c3ccccc3)N2)CCC=C1n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C45H35N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-12,14-17,19-29,43,45,47H,13,18H2,(H,46,48)
InChIKeyUVVXGUBRHPAJMZ-UHFFFAOYSA-N
MW645.81 g/mol
LogP10.12
Rot. Bonds5

About 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole

3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole (PubChem CID 126700298) has the molecular formula C45H35N5 and a molecular weight of 645.81 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
PubChem CID126700298
Molecular FormulaC45H35N5
Molecular Weight645.81 g/mol
Exact Mass645.29
IUPAC Name3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
SMILESC1=C(C2N=C(c3ccccc3)NC(c3ccccc3)N2)CCC=C1n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C45H35N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-12,14-17,19-29,43,45,47H,13,18H2,(H,46,48)
InChIKeyUVVXGUBRHPAJMZ-UHFFFAOYSA-N
XLogP10.12
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[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
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
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-[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
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
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
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
buta-1,3-diene;12-[4-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]-5-phenylindolo[3,2-c]carbazole;ethane
CID 145387056
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole (CID 126700298) is 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole is C1=C(C2N=C(c3ccccc3)NC(c3ccccc3)N2)CCC=C1n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The InChIKey is UVVXGUBRHPAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-12,14-17,19-29,43,45,47H,13,18H2,(H,46,48).
What are the key properties of 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole?
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole has a molecular weight of 645.81 g/mol, XLogP of 10.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole is sourced from PubChem (CID 126700298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).