7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole

C44H27N5 — CID 70836995

IUPAC7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C44H27N5/c1-2-14-29-28(13-1)25-26-40-43(29)34-19-7-12-24-39(34)49(40)44-45-41(47-35-20-8-3-15-30(35)31-16-4-9-21-36(31)47)27-42(46-44)48-37-22-10-5-17-32(37)33-18-6-11-23-38(33)48/h1-27H
InChIKeyLLNXTRFTSUFKMQ-UHFFFAOYSA-N
MW625.74 g/mol
LogP10.92
Rot. Bonds3

About 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole

7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole (PubChem CID 70836995) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
PubChem CID70836995
Molecular FormulaC44H27N5
Molecular Weight625.74 g/mol
Exact Mass625.23
IUPAC Name7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C44H27N5/c1-2-14-29-28(13-1)25-26-40-43(29)34-19-7-12-24-39(34)49(40)44-45-41(47-35-20-8-3-15-30(35)31-16-4-9-21-36(31)47)27-42(46-44)48-37-22-10-5-17-32(37)33-18-6-11-23-38(33)48/h1-27H
InChIKeyLLNXTRFTSUFKMQ-UHFFFAOYSA-N
XLogP10.92
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.74
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
CID 91288923
CID 91288923
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole (CID 70836995) is 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole?
The InChIKey is LLNXTRFTSUFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c1-2-14-29-28(13-1)25-26-40-43(29)34-19-7-12-24-39(34)49(40)44-45-41(47-35-20-8-3-15-30(35)31-16-4-9-21-36(31)47)27-42(46-44)48-37-22-10-5-17-32(37)33-18-6-11-23-38(33)48/h1-27H.
What are the key properties of 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole?
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole has a molecular weight of 625.74 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 70836995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).