bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline

C85H56BrN9 — CID 160811099

IUPACbromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline
SMILESBrc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4Cc4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1
InChIInChI=1S/C42H27N5.C37H24N4.C6H5Br/c1-4-14-29(15-5-1)40-44-41(30-16-6-2-7-17-30)46-42(45-40)31-26-24-28(25-27-31)38-39-37(33-20-10-12-22-35(33)43-38)34-21-11-13-23-36(34)47(39)32-18-8-3-9-19-32;1-3-11-25(12-4-1)35-39-36(26-13-5-2-6-14-26)41-37(40-35)27-21-19-24(20-22-27)34-31-23-28-15-7-8-16-29(28)33(31)30-17-9-10-18-32(30)38-34;7-6-4-2-1-3-5-6/h1-27H;1-22H,23H2;1-5H
InChIKeySEIBZIMJFUCVHT-UHFFFAOYSA-N
MW1283.35 g/mol
LogP21.29
Rot. Bonds9

About bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline

bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline (PubChem CID 160811099) has the molecular formula C85H56BrN9 and a molecular weight of 1283.35 g/mol. Its IUPAC name is bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline.

Molecular Properties

Compound Namebromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline
PubChem CID160811099
Molecular FormulaC85H56BrN9
Molecular Weight1283.35 g/mol
Exact Mass1281.38
IUPAC Namebromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline
SMILESBrc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4Cc4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1
InChIInChI=1S/C42H27N5.C37H24N4.C6H5Br/c1-4-14-29(15-5-1)40-44-41(30-16-6-2-7-17-30)46-42(45-40)31-26-24-28(25-27-31)38-39-37(33-20-10-12-22-35(33)43-38)34-21-11-13-23-36(34)47(39)32-18-8-3-9-19-32;1-3-11-25(12-4-1)35-39-36(26-13-5-2-6-14-26)41-37(40-35)27-21-19-24(20-22-27)34-31-23-28-15-7-8-16-29(28)33(31)30-17-9-10-18-32(30)38-34;7-6-4-2-1-3-5-6/h1-27H;1-22H,23H2;1-5H
InChIKeySEIBZIMJFUCVHT-UHFFFAOYSA-N
XLogP21.29
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.35
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylindolo[2,3-c]quinoline
CID 156551653
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 131999007
6-phenyl-7-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-c]quinoline
CID 156551716
7-phenyl-6-[2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551768
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline
CID 156551752
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,20-diphenyl-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 170064411
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122141
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309

Frequently Asked Questions

What is the IUPAC name of bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline?
The IUPAC name of bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline (CID 160811099) is bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline.
What is the SMILES notation for bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline?
The canonical SMILES for bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline is Brc1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4Cc4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.
What is the InChIKey of bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline?
The InChIKey is SEIBZIMJFUCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5.C37H24N4.C6H5Br/c1-4-14-29(15-5-1)40-44-41(30-16-6-2-7-17-30)46-42(45-40)31-26-24-28(25-27-31)38-39-37(33-20-10-12-22-35(33)43-38)34-21-11-13-23-36(34)47(39)32-18-8-3-9-19-32;1-3-11-25(12-4-1)35-39-36(26-13-5-2-6-14-26)41-37(40-35)27-21-19-24(20-22-27)34-31-23-28-15-7-8-16-29(28)33(31)30-17-9-10-18-32(30)38-34;7-6-4-2-1-3-5-6/h1-27H;1-22H,23H2;1-5H.
What are the key properties of bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline?
bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline has a molecular weight of 1283.35 g/mol, XLogP of 21.29, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline is sourced from PubChem (CID 160811099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).