benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine

C189H128N20S — CID 159791225

IUPACbenzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cnn2)cc1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cc3ccccc3s2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cncc4ccccc34)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nncc3ccccc23)cc1.c1ccccc1.c1ccnnc1
InChIInChI=1S/C38H25N3.C35H23N3.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C6H6.C4H4N2/c1-2-10-27(11-3-1)39-23-22-26-24-38-33(25-37(26)39)32-14-6-9-17-36(32)41(38)29-20-18-28(19-21-29)40-34-15-7-4-12-30(34)31-13-5-8-16-35(31)40;1-2-9-27(10-3-1)37-19-18-25-20-35-31(21-34(25)37)30-12-6-7-13-33(30)38(35)28-16-14-24(15-17-28)32-23-36-22-26-8-4-5-11-29(26)32;1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-19-29-22(17-30(26)34)15-16-33(29)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-27-24(17-26(19)31)23-12-6-7-13-25(23)32(27)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-26-23(18-25(19)29)22-11-5-6-12-24(22)30(26)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;2*1-2-4-6-5-3-1/h1-25H;1-23H;1-20H;1-18H;1-18H;1-13,21H;1-6H;1-4H
InChIKeyNIOVTPIOKNQUEX-UHFFFAOYSA-N
MW2711.31 g/mol
LogP47.99
Rot. Bonds14

About benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine

benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine (PubChem CID 159791225) has the molecular formula C189H128N20S and a molecular weight of 2711.31 g/mol. Its IUPAC name is benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine.

Molecular Properties

Compound Namebenzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine
PubChem CID159791225
Molecular FormulaC189H128N20S
Molecular Weight2711.31 g/mol
Exact Mass2709.04
IUPAC Namebenzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cnn2)cc1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cc3ccccc3s2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cncc4ccccc34)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nncc3ccccc23)cc1.c1ccccc1.c1ccnnc1
InChIInChI=1S/C38H25N3.C35H23N3.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C6H6.C4H4N2/c1-2-10-27(11-3-1)39-23-22-26-24-38-33(25-37(26)39)32-14-6-9-17-36(32)41(38)29-20-18-28(19-21-29)40-34-15-7-4-12-30(34)31-13-5-8-16-35(31)40;1-2-9-27(10-3-1)37-19-18-25-20-35-31(21-34(25)37)30-12-6-7-13-33(30)38(35)28-16-14-24(15-17-28)32-23-36-22-26-8-4-5-11-29(26)32;1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-19-29-22(17-30(26)34)15-16-33(29)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-27-24(17-26(19)31)23-12-6-7-13-25(23)32(27)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-26-23(18-25(19)29)22-11-5-6-12-24(22)30(26)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;2*1-2-4-6-5-3-1/h1-25H;1-23H;1-20H;1-18H;1-18H;1-13,21H;1-6H;1-4H
InChIKeyNIOVTPIOKNQUEX-UHFFFAOYSA-N
XLogP47.99
TPSA165.18 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002711.31
LogP ≤ 547.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine with MolForge

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Related Compounds

1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(1-(1H-inden-5-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine);1-(3H-inden-1-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-(1H-indol-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-phenyl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 157230457
N-[3-[1-[2-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1-benzothiophen-7-yl]pyrazol-4-yl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
CID 71197085
10-Phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 129040370
10-Phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-15-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 129040375
5-(8-Dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole
CID 139361567
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019
2-[5-(1H-benzimidazol-2-yl)-6-indazol-1-yl-3-(7H-purin-2-yl)-2-(4H-quinolizin-1-yl)quinolin-4-yl]-1,3-benzothiazole
CID 141036925
2-[8-(1H-imidazol-2-yl)-3-isoquinolin-1-yl-6-(7H-purin-2-yl)-4-quinolin-2-yl-5-(4H-quinolizin-1-yl)cinnolin-7-yl]-1,3-benzothiazole
CID 141046455
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole
CID 141121732
1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole
CID 141208910
10-Phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene
CID 144960387
5-[(2E,4E)-5-[(3-methylpyrrolidin-1-yl)methyl]hepta-2,4,6-trien-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
CID 145245387

Frequently Asked Questions

What is the IUPAC name of benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine?
The IUPAC name of benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine (CID 159791225) is benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine.
What is the SMILES notation for benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine?
The canonical SMILES for benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine is c1ccc(-c2cc(-n3c4ccccc4c4cc5c(ccn5-c5ccccc5)cc43)cnn2)cc1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cc3ccccc3s2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cncc4ccccc34)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nncc3ccccc23)cc1.c1ccccc1.c1ccnnc1.
What is the InChIKey of benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine?
The InChIKey is NIOVTPIOKNQUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3.C35H23N3.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C6H6.C4H4N2/c1-2-10-27(11-3-1)39-23-22-26-24-38-33(25-37(26)39)32-14-6-9-17-36(32)41(38)29-20-18-28(19-21-29)40-34-15-7-4-12-30(34)31-13-5-8-16-35(31)40;1-2-9-27(10-3-1)37-19-18-25-20-35-31(21-34(25)37)30-12-6-7-13-33(30)38(35)28-16-14-24(15-17-28)32-23-36-22-26-8-4-5-11-29(26)32;1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-19-29-22(17-30(26)34)15-16-33(29)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-27-24(17-26(19)31)23-12-6-7-13-25(23)32(27)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-26-23(18-25(19)29)22-11-5-6-12-24(22)30(26)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;2*1-2-4-6-5-3-1/h1-25H;1-23H;1-20H;1-18H;1-18H;1-13,21H;1-6H;1-4H.
What are the key properties of benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine?
benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine has a molecular weight of 2711.31 g/mol, XLogP of 47.99, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9-(1-benzothiophen-2-yl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-carbazol-9-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;9-(4-isoquinolin-4-ylphenyl)-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-(6-phenylpyridazin-4-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-phthalazin-1-ylpyrrolo[3,2-b]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole;pyridazine is sourced from PubChem (CID 159791225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).