13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene

C99H56F4N10 — CID 134274450

IUPAC13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
SMILESFC1(F)c2cc(-c3ccc4c5ccc6ccccc6c5c5nc6cc(-c7cc(-c8ccc(-c9cc(-c%10ccccn%10)nc%10ccccc9%10)cc8)cc8c7-c7ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc7C8(F)F)ccc6n5c4c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C99H56F4N10/c100-98(101)79-50-64(37-42-71(79)72-43-39-67(51-80(72)98)95-109-91(60-20-5-1-6-21-60)107-92(110-95)61-22-7-2-8-23-61)65-38-44-74-75-45-36-58-19-13-14-28-70(58)90(75)97-106-86-54-66(41-47-87(86)113(97)88(74)55-65)78-49-69(57-32-34-59(35-33-57)77-56-85(84-31-17-18-48-104-84)105-83-30-16-15-29-73(77)83)53-82-89(78)76-46-40-68(52-81(76)99(82,102)103)96-111-93(62-24-9-3-10-25-62)108-94(112-96)63-26-11-4-12-27-63/h1-56H
InChIKeyNBAIJEBZTPCORV-UHFFFAOYSA-N
MW1461.60 g/mol
LogP24.84
Rot. Bonds11

About 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene

13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene (PubChem CID 134274450) has the molecular formula C99H56F4N10 and a molecular weight of 1461.60 g/mol. Its IUPAC name is 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene.

Molecular Properties

Compound Name13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
PubChem CID134274450
Molecular FormulaC99H56F4N10
Molecular Weight1461.60 g/mol
Exact Mass1460.46
IUPAC Name13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
SMILESFC1(F)c2cc(-c3ccc4c5ccc6ccccc6c5c5nc6cc(-c7cc(-c8ccc(-c9cc(-c%10ccccn%10)nc%10ccccc9%10)cc8)cc8c7-c7ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc7C8(F)F)ccc6n5c4c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C99H56F4N10/c100-98(101)79-50-64(37-42-71(79)72-43-39-67(51-80(72)98)95-109-91(60-20-5-1-6-21-60)107-92(110-95)61-22-7-2-8-23-61)65-38-44-74-75-45-36-58-19-13-14-28-70(58)90(75)97-106-86-54-66(41-47-87(86)113(97)88(74)55-65)78-49-69(57-32-34-59(35-33-57)77-56-85(84-31-17-18-48-104-84)105-83-30-16-15-29-73(77)83)53-82-89(78)76-46-40-68(52-81(76)99(82,102)103)96-111-93(62-24-9-3-10-25-62)108-94(112-96)63-26-11-4-12-27-63/h1-56H
InChIKeyNBAIJEBZTPCORV-UHFFFAOYSA-N
XLogP24.84
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.60
LogP ≤ 524.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene with MolForge

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Related Compounds

5,7-Difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566598
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
7-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370316
7-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566631
5-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 155550628
8-Fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566427
2,5,8-Triazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
CID 25149045
8-(3-Benzylbenzimidazol-5-yl)-6-naphthalen-1-ylimidazo[1,2-a]pyrazine
CID 155815738
3,10,20-Tris(trifluoromethyl)-2,4,9,11,14-pentazahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),15,17,19-undecaene
CID 72190662
13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
CID 139192824
8-[2-[3-Fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 23391335
4-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline
CID 56973555

Frequently Asked Questions

What is the IUPAC name of 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The IUPAC name of 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene (CID 134274450) is 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene.
What is the SMILES notation for 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The canonical SMILES for 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene is FC1(F)c2cc(-c3ccc4c5ccc6ccccc6c5c5nc6cc(-c7cc(-c8ccc(-c9cc(-c%10ccccn%10)nc%10ccccc9%10)cc8)cc8c7-c7ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc7C8(F)F)ccc6n5c4c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The InChIKey is NBAIJEBZTPCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H56F4N10/c100-98(101)79-50-64(37-42-71(79)72-43-39-67(51-80(72)98)95-109-91(60-20-5-1-6-21-60)107-92(110-95)61-22-7-2-8-23-61)65-38-44-74-75-45-36-58-19-13-14-28-70(58)90(75)97-106-86-54-66(41-47-87(86)113(97)88(74)55-65)78-49-69(57-32-34-59(35-33-57)77-56-85(84-31-17-18-48-104-84)105-83-30-16-15-29-73(77)83)53-82-89(78)76-46-40-68(52-81(76)99(82,102)103)96-111-93(62-24-9-3-10-25-62)108-94(112-96)63-26-11-4-12-27-63/h1-56H.
What are the key properties of 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene has a molecular weight of 1461.60 g/mol, XLogP of 24.84, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene is sourced from PubChem (CID 134274450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).