9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole

C170H84F36N18 — CID 163920100

IUPAC9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(-c4cnccc4-n4c5ccc(C(F)(F)F)cc5c5ccc(-c6c(C(F)(F)F)ccc7c6c6cc(C(F)(F)F)ccc6n7-c6ccncc6-c6ccc(-n7c8ccc(C(F)(F)F)cc8c8cc(C(F)(F)F)ccc87)c(-c7nc(-c8ccccc8)nc(-c8cc(-c9cnccc9-n9c%10ccc(C(F)(F)F)cc%10c%10cc(C(F)(F)F)ccc%109)ccc8-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)n7)c6)cc54)ccc3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)n2)c1
InChIInChI=1S/C170H84F36N18/c171-159(172,173)92-28-45-130-107(70-92)103-17-7-10-20-127(103)217(130)141-41-24-87(122-81-207-61-57-145(122)219-129-22-12-9-19-105(129)109-72-94(161(177,178)179)30-47-132(109)219)65-118(141)155-211-153(85-13-3-1-4-14-85)212-156(215-155)119-68-90(25-42-142(119)218-128-21-11-8-18-104(128)108-71-93(160(174,175)176)29-46-131(108)218)125-84-210-64-60-148(125)224-133-48-31-95(162(180,181)182)73-110(133)106-39-23-91(69-150(106)224)151-126(170(204,205)206)40-56-149-152(151)117-80-102(169(201,202)203)38-55-140(117)223(149)147-59-63-209-83-124(147)89-27-44-144(221-136-51-34-98(165(189,190)191)76-113(136)114-77-99(166(192,193)194)35-52-137(114)221)121(67-89)158-214-154(86-15-5-2-6-16-86)213-157(216-158)120-66-88(26-43-143(120)220-134-49-32-96(163(183,184)185)74-111(134)112-75-97(164(186,187)188)33-50-135(112)220)123-82-208-62-58-146(123)222-138-53-36-100(167(195,196)197)78-115(138)116-79-101(168(198,199)200)37-54-139(116)222/h1-84H
InChIKeyQZRMHCPZXRKWFQ-UHFFFAOYSA-N
MW3062.60 g/mol
LogP50.98
Rot. Bonds19

About 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole

9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 163920100) has the molecular formula C170H84F36N18 and a molecular weight of 3062.60 g/mol. Its IUPAC name is 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID163920100
Molecular FormulaC170H84F36N18
Molecular Weight3062.60 g/mol
Exact Mass3060.66
IUPAC Name9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(-c4cnccc4-n4c5ccc(C(F)(F)F)cc5c5ccc(-c6c(C(F)(F)F)ccc7c6c6cc(C(F)(F)F)ccc6n7-c6ccncc6-c6ccc(-n7c8ccc(C(F)(F)F)cc8c8cc(C(F)(F)F)ccc87)c(-c7nc(-c8ccccc8)nc(-c8cc(-c9cnccc9-n9c%10ccc(C(F)(F)F)cc%10c%10cc(C(F)(F)F)ccc%109)ccc8-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)n7)c6)cc54)ccc3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)n2)c1
InChIInChI=1S/C170H84F36N18/c171-159(172,173)92-28-45-130-107(70-92)103-17-7-10-20-127(103)217(130)141-41-24-87(122-81-207-61-57-145(122)219-129-22-12-9-19-105(129)109-72-94(161(177,178)179)30-47-132(109)219)65-118(141)155-211-153(85-13-3-1-4-14-85)212-156(215-155)119-68-90(25-42-142(119)218-128-21-11-8-18-104(128)108-71-93(160(174,175)176)29-46-131(108)218)125-84-210-64-60-148(125)224-133-48-31-95(162(180,181)182)73-110(133)106-39-23-91(69-150(106)224)151-126(170(204,205)206)40-56-149-152(151)117-80-102(169(201,202)203)38-55-140(117)223(149)147-59-63-209-83-124(147)89-27-44-144(221-136-51-34-98(165(189,190)191)76-113(136)114-77-99(166(192,193)194)35-52-137(114)221)121(67-89)158-214-154(86-15-5-2-6-16-86)213-157(216-158)120-66-88(26-43-143(120)220-134-49-32-96(163(183,184)185)74-111(134)112-75-97(164(186,187)188)33-50-135(112)220)123-82-208-62-58-146(123)222-138-53-36-100(167(195,196)197)78-115(138)116-79-101(168(198,199)200)37-54-139(116)222/h1-84H
InChIKeyQZRMHCPZXRKWFQ-UHFFFAOYSA-N
XLogP50.98
TPSA168.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003062.60
LogP ≤ 550.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 163920100) is 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(-c4cnccc4-n4c5ccc(C(F)(F)F)cc5c5ccc(-c6c(C(F)(F)F)ccc7c6c6cc(C(F)(F)F)ccc6n7-c6ccncc6-c6ccc(-n7c8ccc(C(F)(F)F)cc8c8cc(C(F)(F)F)ccc87)c(-c7nc(-c8ccccc8)nc(-c8cc(-c9cnccc9-n9c%10ccc(C(F)(F)F)cc%10c%10cc(C(F)(F)F)ccc%109)ccc8-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)n7)c6)cc54)ccc3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)n2)c1.
What is the InChIKey of 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is QZRMHCPZXRKWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H84F36N18/c171-159(172,173)92-28-45-130-107(70-92)103-17-7-10-20-127(103)217(130)141-41-24-87(122-81-207-61-57-145(122)219-129-22-12-9-19-105(129)109-72-94(161(177,178)179)30-47-132(109)219)65-118(141)155-211-153(85-13-3-1-4-14-85)212-156(215-155)119-68-90(25-42-142(119)218-128-21-11-8-18-104(128)108-71-93(160(174,175)176)29-46-131(108)218)125-84-210-64-60-148(125)224-133-48-31-95(162(180,181)182)73-110(133)106-39-23-91(69-150(106)224)151-126(170(204,205)206)40-56-149-152(151)117-80-102(169(201,202)203)38-55-140(117)223(149)147-59-63-209-83-124(147)89-27-44-144(221-136-51-34-98(165(189,190)191)76-113(136)114-77-99(166(192,193)194)35-52-137(114)221)121(67-89)158-214-154(86-15-5-2-6-16-86)213-157(216-158)120-66-88(26-43-143(120)220-134-49-32-96(163(183,184)185)74-111(134)112-75-97(164(186,187)188)33-50-135(112)220)123-82-208-62-58-146(123)222-138-53-36-100(167(195,196)197)78-115(138)116-79-101(168(198,199)200)37-54-139(116)222/h1-84H.
What are the key properties of 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole?
9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 3062.60 g/mol, XLogP of 50.98, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-4-[9-[3-[3-[4-phenyl-6-[2-[3-(trifluoromethyl)carbazol-9-yl]-5-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-6-(trifluoromethyl)carbazol-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 163920100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).