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

C167H107F18N9 — CID 146393854

IUPAC3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)n%13)cc%12C)c%11)cc%109)n8)c7c6)ccc5C)ccc43)n2)cc1
InChIInChI=1S/C167H107F18N9/c1-92-30-36-100(37-31-92)106-45-55-147-137(74-106)132-26-11-14-29-146(132)189(147)156-83-120(117-66-123(162(168,169)170)89-124(67-117)163(171,172)173)84-157(186-156)192-148-56-46-107(101-38-32-93(2)33-39-101)75-138(148)143-80-116(51-61-153(143)192)135-72-108(40-34-97(135)6)114-43-53-133-130-24-9-12-27-144(130)193(154(133)81-114)160-87-122(119-70-127(166(180,181)182)91-128(71-119)167(183,184)185)88-161(188-160)194-145-28-13-10-25-131(145)134-54-44-115(82-155(134)194)109-41-35-98(7)136(73-109)129-52-42-105(65-99(129)8)113-50-60-152-142(79-113)141-78-112(104-23-17-20-96(5)64-104)49-59-151(141)191(152)159-86-121(118-68-125(164(174,175)176)90-126(69-118)165(177,178)179)85-158(187-159)190-149-57-47-110(102-21-15-18-94(3)62-102)76-139(149)140-77-111(48-58-150(140)190)103-22-16-19-95(4)63-103/h9-91H,1-8H3
InChIKeyCCOUPXBKTJAVJX-UHFFFAOYSA-N
MW2581.72 g/mol
LogP48.71
Rot. Bonds19

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

3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole (PubChem CID 146393854) has the molecular formula C167H107F18N9 and a molecular weight of 2581.72 g/mol. Its IUPAC name is 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole
PubChem CID146393854
Molecular FormulaC167H107F18N9
Molecular Weight2581.72 g/mol
Exact Mass2579.84
IUPAC Name3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)n%13)cc%12C)c%11)cc%109)n8)c7c6)ccc5C)ccc43)n2)cc1
InChIInChI=1S/C167H107F18N9/c1-92-30-36-100(37-31-92)106-45-55-147-137(74-106)132-26-11-14-29-146(132)189(147)156-83-120(117-66-123(162(168,169)170)89-124(67-117)163(171,172)173)84-157(186-156)192-148-56-46-107(101-38-32-93(2)33-39-101)75-138(148)143-80-116(51-61-153(143)192)135-72-108(40-34-97(135)6)114-43-53-133-130-24-9-12-27-144(130)193(154(133)81-114)160-87-122(119-70-127(166(180,181)182)91-128(71-119)167(183,184)185)88-161(188-160)194-145-28-13-10-25-131(145)134-54-44-115(82-155(134)194)109-41-35-98(7)136(73-109)129-52-42-105(65-99(129)8)113-50-60-152-142(79-113)141-78-112(104-23-17-20-96(5)64-104)49-59-151(141)191(152)159-86-121(118-68-125(164(174,175)176)90-126(69-118)165(177,178)179)85-158(187-159)190-149-57-47-110(102-21-15-18-94(3)62-102)76-139(149)140-77-111(48-58-150(140)190)103-22-16-19-95(4)63-103/h9-91H,1-8H3
InChIKeyCCOUPXBKTJAVJX-UHFFFAOYSA-N
XLogP48.71
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.72
LogP ≤ 548.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole?
The IUPAC name of 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole (CID 146393854) is 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole?
The canonical SMILES for 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)n%13)cc%12C)c%11)cc%109)n8)c7c6)ccc5C)ccc43)n2)cc1.
What is the InChIKey of 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole?
The InChIKey is CCOUPXBKTJAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H107F18N9/c1-92-30-36-100(37-31-92)106-45-55-147-137(74-106)132-26-11-14-29-146(132)189(147)156-83-120(117-66-123(162(168,169)170)89-124(67-117)163(171,172)173)84-157(186-156)192-148-56-46-107(101-38-32-93(2)33-39-101)75-138(148)143-80-116(51-61-153(143)192)135-72-108(40-34-97(135)6)114-43-53-133-130-24-9-12-27-144(130)193(154(133)81-114)160-87-122(119-70-127(166(180,181)182)91-128(71-119)167(183,184)185)88-161(188-160)194-145-28-13-10-25-131(145)134-54-44-115(82-155(134)194)109-41-35-98(7)136(73-109)129-52-42-105(65-99(129)8)113-50-60-152-142(79-113)141-78-112(104-23-17-20-96(5)64-104)49-59-151(141)191(152)159-86-121(118-68-125(164(174,175)176)90-126(69-118)165(177,178)179)85-158(187-159)190-149-57-47-110(102-21-15-18-94(3)62-102)76-139(149)140-77-111(48-58-150(140)190)103-22-16-19-95(4)63-103/h9-91H,1-8H3.
What are the key properties of 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole?
3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole has a molecular weight of 2581.72 g/mol, XLogP of 48.71, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[9-[6-[2-[3-[4-[9-[6-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3-methylphenyl)carbazol-3-yl]-2-methylphenyl]-4-methylphenyl]carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazole is sourced from PubChem (CID 146393854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).