9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole

C181H140F6N10 — CID 139313534

IUPAC9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4Cc4cc(C)c(-c5ccc6c(c5)c5ccccc5n6-c5ccncc5-c5cc(C(F)(F)F)cc(-c6cnccc6-n6c7ccccc7c7cc(-c8c(C)cc(C)cc8C)ccc76)c5-n5c6ccccc6c6cc(-c7c(C)cc(C)cc7C)ccc65)c(C)c4)ccc32)c1
InChIInChI=1S/C181H140F6N10/c1-100-59-101(2)70-130(69-100)121-33-42-164-145(83-121)146-84-122(131-71-102(3)60-103(4)72-131)34-43-165(146)194(164)173-53-57-190-98-157(173)153-94-136(181(185,186)187)95-154(158-99-191-58-54-174(158)195-166-44-35-123(132-73-104(5)61-105(6)74-132)85-147(166)148-86-124(36-45-167(148)195)133-75-106(7)62-107(8)76-133)179(153)197-169-46-37-125(134-77-108(9)63-109(10)78-134)87-149(169)150-88-126(38-47-170(150)197)141-79-112(13)64-113(14)140(141)82-120-80-118(19)177(119(20)81-120)129-40-49-163-143(90-129)138-28-22-25-31-160(138)193(163)172-52-56-189-97-156(172)152-93-135(180(182,183)184)92-151(178(152)196-161-32-26-23-29-139(161)144-91-128(41-50-168(144)196)176-116(17)67-111(12)68-117(176)18)155-96-188-55-51-171(155)192-159-30-24-21-27-137(159)142-89-127(39-48-162(142)192)175-114(15)65-110(11)66-115(175)16/h21-81,83-99H,82H2,1-20H3
InChIKeyKVDYWDBYWLWAJS-UHFFFAOYSA-N
MW2569.17 g/mol
LogP49.32
Rot. Bonds21

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

9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole (PubChem CID 139313534) has the molecular formula C181H140F6N10 and a molecular weight of 2569.17 g/mol. Its IUPAC name is 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole.

Molecular Properties

Compound Name9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
PubChem CID139313534
Molecular FormulaC181H140F6N10
Molecular Weight2569.17 g/mol
Exact Mass2567.12
IUPAC Name9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4Cc4cc(C)c(-c5ccc6c(c5)c5ccccc5n6-c5ccncc5-c5cc(C(F)(F)F)cc(-c6cnccc6-n6c7ccccc7c7cc(-c8c(C)cc(C)cc8C)ccc76)c5-n5c6ccccc6c6cc(-c7c(C)cc(C)cc7C)ccc65)c(C)c4)ccc32)c1
InChIInChI=1S/C181H140F6N10/c1-100-59-101(2)70-130(69-100)121-33-42-164-145(83-121)146-84-122(131-71-102(3)60-103(4)72-131)34-43-165(146)194(164)173-53-57-190-98-157(173)153-94-136(181(185,186)187)95-154(158-99-191-58-54-174(158)195-166-44-35-123(132-73-104(5)61-105(6)74-132)85-147(166)148-86-124(36-45-167(148)195)133-75-106(7)62-107(8)76-133)179(153)197-169-46-37-125(134-77-108(9)63-109(10)78-134)87-149(169)150-88-126(38-47-170(150)197)141-79-112(13)64-113(14)140(141)82-120-80-118(19)177(119(20)81-120)129-40-49-163-143(90-129)138-28-22-25-31-160(138)193(163)172-52-56-189-97-156(172)152-93-135(180(182,183)184)92-151(178(152)196-161-32-26-23-29-139(161)144-91-128(41-50-168(144)196)176-116(17)67-111(12)68-117(176)18)155-96-188-55-51-171(155)192-159-30-24-21-27-137(159)142-89-127(39-48-162(142)192)175-114(15)65-110(11)66-115(175)16/h21-81,83-99H,82H2,1-20H3
InChIKeyKVDYWDBYWLWAJS-UHFFFAOYSA-N
XLogP49.32
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002569.17
LogP ≤ 549.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole?
The IUPAC name of 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole (CID 139313534) is 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole.
What is the SMILES notation for 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole?
The canonical SMILES for 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4Cc4cc(C)c(-c5ccc6c(c5)c5ccccc5n6-c5ccncc5-c5cc(C(F)(F)F)cc(-c6cnccc6-n6c7ccccc7c7cc(-c8c(C)cc(C)cc8C)ccc76)c5-n5c6ccccc6c6cc(-c7c(C)cc(C)cc7C)ccc65)c(C)c4)ccc32)c1.
What is the InChIKey of 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole?
The InChIKey is KVDYWDBYWLWAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C181H140F6N10/c1-100-59-101(2)70-130(69-100)121-33-42-164-145(83-121)146-84-122(131-71-102(3)60-103(4)72-131)34-43-165(146)194(164)173-53-57-190-98-157(173)153-94-136(181(185,186)187)95-154(158-99-191-58-54-174(158)195-166-44-35-123(132-73-104(5)61-105(6)74-132)85-147(166)148-86-124(36-45-167(148)195)133-75-106(7)62-107(8)76-133)179(153)197-169-46-37-125(134-77-108(9)63-109(10)78-134)87-149(169)150-88-126(38-47-170(150)197)141-79-112(13)64-113(14)140(141)82-120-80-118(19)177(119(20)81-120)129-40-49-163-143(90-129)138-28-22-25-31-160(138)193(163)172-52-56-189-97-156(172)152-93-135(180(182,183)184)92-151(178(152)196-161-32-26-23-29-139(161)144-91-128(41-50-168(144)196)176-116(17)67-111(12)68-117(176)18)155-96-188-55-51-171(155)192-159-30-24-21-27-137(159)142-89-127(39-48-162(142)192)175-114(15)65-110(11)66-115(175)16/h21-81,83-99H,82H2,1-20H3.
What are the key properties of 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole?
9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole has a molecular weight of 2569.17 g/mol, XLogP of 49.32, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]phenyl]-4-pyridinyl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole is sourced from PubChem (CID 139313534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).