2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

C152H58N32 — CID 146266132

IUPAC2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2cnccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccncc5-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c(-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c4)n3)cc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1
InChIInChI=1S/C152H58N32/c153-57-83-30-102(65-161)144(103(31-83)66-162)93-8-18-132-122(46-93)123-47-94(145-104(67-163)32-84(58-154)33-105(145)68-164)9-19-133(123)181(132)140-54-92(6-16-118(140)120-26-28-177-81-142(120)183-136-22-12-97(148-110(73-169)38-87(61-157)39-111(148)74-170)50-126(136)127-51-98(13-23-137(127)183)149-112(75-171)40-88(62-158)41-113(149)76-172)131-56-130(91-4-2-1-3-5-91)179-152(180-131)101-7-17-119(141(55-101)182-134-20-10-95(146-106(69-165)34-85(59-155)35-107(146)70-166)48-124(134)125-49-96(11-21-135(125)182)147-108(71-167)36-86(60-156)37-109(147)72-168)121-27-29-178-82-143(121)184-138-24-14-99(150-114(77-173)42-89(63-159)43-115(150)78-174)52-128(138)129-53-100(15-25-139(129)184)151-116(79-175)44-90(64-160)45-117(151)80-176/h1-56,81-82H
InChIKeyLLGULRCDPAYQEQ-UHFFFAOYSA-N
MW2332.36 g/mol
LogP30.25
Rot. Bonds17

About 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (PubChem CID 146266132) has the molecular formula C152H58N32 and a molecular weight of 2332.36 g/mol. Its IUPAC name is 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
PubChem CID146266132
Molecular FormulaC152H58N32
Molecular Weight2332.36 g/mol
Exact Mass2330.55
IUPAC Name2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2cnccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccncc5-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c(-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c4)n3)cc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1
InChIInChI=1S/C152H58N32/c153-57-83-30-102(65-161)144(103(31-83)66-162)93-8-18-132-122(46-93)123-47-94(145-104(67-163)32-84(58-154)33-105(145)68-164)9-19-133(123)181(132)140-54-92(6-16-118(140)120-26-28-177-81-142(120)183-136-22-12-97(148-110(73-169)38-87(61-157)39-111(148)74-170)50-126(136)127-51-98(13-23-137(127)183)149-112(75-171)40-88(62-158)41-113(149)76-172)131-56-130(91-4-2-1-3-5-91)179-152(180-131)101-7-17-119(141(55-101)182-134-20-10-95(146-106(69-165)34-85(59-155)35-107(146)70-166)48-124(134)125-49-96(11-21-135(125)182)147-108(71-167)36-86(60-156)37-109(147)72-168)121-27-29-178-82-143(121)184-138-24-14-99(150-114(77-173)42-89(63-159)43-115(150)78-174)52-128(138)129-53-100(15-25-139(129)184)151-116(79-175)44-90(64-160)45-117(151)80-176/h1-56,81-82H
InChIKeyLLGULRCDPAYQEQ-UHFFFAOYSA-N
XLogP30.25
TPSA642.24 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002332.36
LogP ≤ 530.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (CID 146266132) is 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2cnccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccncc5-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c(-n5c6ccc(-c7c(C#N)cc(C#N)cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7C#N)ccc65)c4)n3)cc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1.
What is the InChIKey of 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The InChIKey is LLGULRCDPAYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H58N32/c153-57-83-30-102(65-161)144(103(31-83)66-162)93-8-18-132-122(46-93)123-47-94(145-104(67-163)32-84(58-154)33-105(145)68-164)9-19-133(123)181(132)140-54-92(6-16-118(140)120-26-28-177-81-142(120)183-136-22-12-97(148-110(73-169)38-87(61-157)39-111(148)74-170)50-126(136)127-51-98(13-23-137(127)183)149-112(75-171)40-88(62-158)41-113(149)76-172)131-56-130(91-4-2-1-3-5-91)179-152(180-131)101-7-17-119(141(55-101)182-134-20-10-95(146-106(69-165)34-85(59-155)35-107(146)70-166)48-124(134)125-49-96(11-21-135(125)182)147-108(71-167)36-86(60-156)37-109(147)72-168)121-27-29-178-82-143(121)184-138-24-14-99(150-114(77-173)42-89(63-159)43-115(150)78-174)52-128(138)129-53-100(15-25-139(129)184)151-116(79-175)44-90(64-160)45-117(151)80-176/h1-56,81-82H.
What are the key properties of 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile has a molecular weight of 2332.36 g/mol, XLogP of 30.25, 17 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[5-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 146266132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).