3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene

C61H37N5 — CID 118301020

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc6c7c(cccc7c54)-c4ccccc4-6)cc3)n2)cc1
InChIInChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)66-56-34-30-42(41-29-33-55-50(35-41)47-23-12-13-26-54(47)65(55)43-19-8-3-9-20-43)36-51(56)53-37-52-46-22-11-10-21-45(46)48-24-14-25-49(57(48)52)58(53)66/h1-37H
InChIKeyBQWQVJQRYLMBJL-UHFFFAOYSA-N
MW840.00 g/mol
LogP15.53
Rot. Bonds6

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene (PubChem CID 118301020) has the molecular formula C61H37N5 and a molecular weight of 840.00 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
PubChem CID118301020
Molecular FormulaC61H37N5
Molecular Weight840.00 g/mol
Exact Mass839.30
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc6c7c(cccc7c54)-c4ccccc4-6)cc3)n2)cc1
InChIInChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)66-56-34-30-42(41-29-33-55-50(35-41)47-23-12-13-26-54(47)65(55)43-19-8-3-9-20-43)36-51(56)53-37-52-46-22-11-10-21-45(46)48-24-14-25-49(57(48)52)58(53)66/h1-37H
InChIKeyBQWQVJQRYLMBJL-UHFFFAOYSA-N
XLogP15.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.00
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dextranase
CID 167312536
9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 23527810
9-(3-(9H-Carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 58943284
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenyl)-N3, N3, N6, N6-tetraphenyl-9H-carbazole-3,6-diamine
CID 90211147
9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl)-3,6-dimethyl-9H-carbazole
CID 118670814
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
CID 171118274
1,2-Diphenyl-1H-phenanthro[9,10-d]imidazole
CID 632862
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
2-(4-Fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 102194297

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene (CID 118301020) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc6c7c(cccc7c54)-c4ccccc4-6)cc3)n2)cc1.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene?
The InChIKey is BQWQVJQRYLMBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)66-56-34-30-42(41-29-33-55-50(35-41)47-23-12-13-26-54(47)65(55)43-19-8-3-9-20-43)36-51(56)53-37-52-46-22-11-10-21-45(46)48-24-14-25-49(57(48)52)58(53)66/h1-37H.
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene has a molecular weight of 840.00 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene is sourced from PubChem (CID 118301020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).