3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole

C135H85N13 — CID 157053515

IUPAC3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C53H33N5.2C41H26N4/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)43-33-35(56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56)29-31-51(43)58(50)53-27-13-26-52(54-53)57-48-24-11-5-18-40(48)41-19-6-12-25-49(41)57;1-6-16-35-29(11-1)30-12-2-7-17-36(30)43(35)27-21-23-40-34(25-27)33-15-5-8-18-37(33)44(40)28-22-24-41(42-26-28)45-38-19-9-3-13-31(38)32-14-4-10-20-39(32)45;1-6-17-34-28(12-1)29-13-2-7-18-35(29)43(34)27-24-25-39-33(26-27)32-16-5-10-21-38(32)45(39)41-23-11-22-40(42-41)44-36-19-8-3-14-30(36)31-15-4-9-20-37(31)44/h1-33H;2*1-26H
InChIKeyAAMDXJWYEWEGEK-UHFFFAOYSA-N
MW1889.26 g/mol
LogP34.22
Rot. Bonds10

About 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole

3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole (PubChem CID 157053515) has the molecular formula C135H85N13 and a molecular weight of 1889.26 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
PubChem CID157053515
Molecular FormulaC135H85N13
Molecular Weight1889.26 g/mol
Exact Mass1887.71
IUPAC Name3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C53H33N5.2C41H26N4/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)43-33-35(56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56)29-31-51(43)58(50)53-27-13-26-52(54-53)57-48-24-11-5-18-40(48)41-19-6-12-25-49(41)57;1-6-16-35-29(11-1)30-12-2-7-17-36(30)43(35)27-21-23-40-34(25-27)33-15-5-8-18-37(33)44(40)28-22-24-41(42-26-28)45-38-19-9-3-13-31(38)32-14-4-10-20-39(32)45;1-6-17-34-28(12-1)29-13-2-7-18-35(29)43(34)27-24-25-39-33(26-27)32-16-5-10-21-38(32)45(39)41-23-11-22-40(42-41)44-36-19-8-3-14-30(36)31-15-4-9-20-37(31)44/h1-33H;2*1-26H
InChIKeyAAMDXJWYEWEGEK-UHFFFAOYSA-N
XLogP34.22
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.26
LogP ≤ 534.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole (CID 157053515) is 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole is c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)nc1.
What is the InChIKey of 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole?
The InChIKey is AAMDXJWYEWEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.2C41H26N4/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)43-33-35(56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56)29-31-51(43)58(50)53-27-13-26-52(54-53)57-48-24-11-5-18-40(48)41-19-6-12-25-49(41)57;1-6-16-35-29(11-1)30-12-2-7-17-36(30)43(35)27-21-23-40-34(25-27)33-15-5-8-18-37(33)44(40)28-22-24-41(42-26-28)45-38-19-9-3-13-31(38)32-14-4-10-20-39(32)45;1-6-17-34-28(12-1)29-13-2-7-18-35(29)43(34)27-24-25-39-33(26-27)32-16-5-10-21-38(32)45(39)41-23-11-22-40(42-41)44-36-19-8-3-14-30(36)31-15-4-9-20-37(31)44/h1-33H;2*1-26H.
What are the key properties of 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole?
3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole has a molecular weight of 1889.26 g/mol, XLogP of 34.22, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 157053515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).