7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole

C43H28N4 — CID 121422958

IUPAC7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1
InChIInChI=1S/C43H28N4/c1-2-10-33(11-3-1)43-45-38(31-18-16-29(17-19-31)34-12-8-26-44-28-34)27-39(46-43)32-20-23-35(24-21-32)47-40-15-7-6-14-37(40)42-36-13-5-4-9-30(36)22-25-41(42)47/h1-28H
InChIKeyPQSJNONQUPNUSJ-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.79
Rot. Bonds5

About 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole

7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole (PubChem CID 121422958) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
PubChem CID121422958
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1
InChIInChI=1S/C43H28N4/c1-2-10-33(11-3-1)43-45-38(31-18-16-29(17-19-31)34-12-8-26-44-28-34)27-39(46-43)32-20-23-35(24-21-32)47-40-15-7-6-14-37(40)42-36-13-5-4-9-30(36)22-25-41(42)47/h1-28H
InChIKeyPQSJNONQUPNUSJ-UHFFFAOYSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 121422973
21-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 121422959
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130350827
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 121422859
9-[4-[2,6-bis(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 162064291
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984
3,6-diisocyano-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 140725187
7-phenyl-5-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 164843445
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-7-phenylbenzo[c]carbazole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole
CID 160795339
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?
The IUPAC name of 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole (CID 121422958) is 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1.
What is the InChIKey of 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?
The InChIKey is PQSJNONQUPNUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-2-10-33(11-3-1)43-45-38(31-18-16-29(17-19-31)34-12-8-26-44-28-34)27-39(46-43)32-20-23-35(24-21-32)47-40-15-7-6-14-37(40)42-36-13-5-4-9-30(36)22-25-41(42)47/h1-28H.
What are the key properties of 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole?
7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 121422958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).