3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole

C57H42N5+ — CID 163839034

IUPAC3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2-c1ccccc1C1N=C(c2ccc3ccccc3c2)N=C(c2ccccc2)[NH2+]1
InChIInChI=1S/C57H41N5/c1-2-16-38(17-3-1)55-58-56(42-27-26-36-14-4-5-18-39(36)32-42)60-57(59-55)48-23-11-13-25-51(48)62-52-34-41-20-7-6-19-40(41)33-49(52)46-31-29-43(35-53(46)62)61-50-24-12-10-22-45(50)47-30-28-37-15-8-9-21-44(37)54(47)61/h1-27,29,31-34,43,57H,28,30,35H2,(H,58,59,60)/p+1
InChIKeyOKHBZLCOSUPJLJ-UHFFFAOYSA-O
MW797.00 g/mol
LogP11.94
Rot. Bonds5

About 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole

3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole (PubChem CID 163839034) has the molecular formula C57H42N5+ and a molecular weight of 797.00 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
PubChem CID163839034
Molecular FormulaC57H42N5+
Molecular Weight797.00 g/mol
Exact Mass796.34
IUPAC Name3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2-c1ccccc1C1N=C(c2ccc3ccccc3c2)N=C(c2ccccc2)[NH2+]1
InChIInChI=1S/C57H41N5/c1-2-16-38(17-3-1)55-58-56(42-27-26-36-14-4-5-18-39(36)32-42)60-57(59-55)48-23-11-13-25-51(48)62-52-34-41-20-7-6-19-40(41)33-49(52)46-31-29-43(35-53(46)62)61-50-24-12-10-22-45(50)47-30-28-37-15-8-9-21-44(37)54(47)61/h1-27,29,31-34,43,57H,28,30,35H2,(H,58,59,60)/p+1
InChIKeyOKHBZLCOSUPJLJ-UHFFFAOYSA-O
XLogP11.94
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.00
LogP ≤ 511.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole with MolForge

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Related Compounds

3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole
CID 139569666
2-carbazol-9-yl-5-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-6-yl)naphthalen-2-yl]benzo[b]carbazole
CID 163967385
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 142315112
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621297
12-[2-(4-naphthalen-2-yl-2-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)-9H-fluoren-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167043446
N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 144844325
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole?
The IUPAC name of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole (CID 163839034) is 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole.
What is the SMILES notation for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole?
The canonical SMILES for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole is C1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2-c1ccccc1C1N=C(c2ccc3ccccc3c2)N=C(c2ccccc2)[NH2+]1.
What is the InChIKey of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole?
The InChIKey is OKHBZLCOSUPJLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C57H41N5/c1-2-16-38(17-3-1)55-58-56(42-27-26-36-14-4-5-18-39(36)32-42)60-57(59-55)48-23-11-13-25-51(48)62-52-34-41-20-7-6-19-40(41)33-49(52)46-31-29-43(35-53(46)62)61-50-24-12-10-22-45(50)47-30-28-37-15-8-9-21-44(37)54(47)61/h1-27,29,31-34,43,57H,28,30,35H2,(H,58,59,60)/p+1.
What are the key properties of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole?
3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole has a molecular weight of 797.00 g/mol, XLogP of 11.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole is sourced from PubChem (CID 163839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).