1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

C47H29N5 — CID 155477453

IUPAC1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc43)n2)cc1
InChIInChI=1S/C47H29N5/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)52-41-25-13-24-40(43(41)38-28-33-19-7-8-20-34(33)29-42(38)52)51-39-23-12-11-22-36(39)37-27-26-30-14-9-10-21-35(30)44(37)51/h1-29H
InChIKeyVMTWSXYFCKVVQN-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 155477453) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID155477453
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc43)n2)cc1
InChIInChI=1S/C47H29N5/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)52-41-25-13-24-40(43(41)38-28-33-19-7-8-20-34(33)29-42(38)52)51-39-23-12-11-22-36(39)37-27-26-30-14-9-10-21-35(30)44(37)51/h1-29H
InChIKeyVMTWSXYFCKVVQN-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 162035332
5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 170110356
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146375727
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 167203592
11-[2-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109291
3-carbazol-9-yl-6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;11-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[b]carbazole;7-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole;methane
CID 158964122
1-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;6-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 158646721

Frequently Asked Questions

What is the IUPAC name of 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 155477453) is 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc43)n2)cc1.
What is the InChIKey of 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is VMTWSXYFCKVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)52-41-25-13-24-40(43(41)38-28-33-19-7-8-20-34(33)29-42(38)52)51-39-23-12-11-22-36(39)37-27-26-30-14-9-10-21-35(30)44(37)51/h1-29H.
What are the key properties of 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 155477453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).