5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole

C76H57N7 — CID 158570840

IUPAC5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole
SMILESCc1cc(-c2ccccc2)cnc1-c1ccc(-c2cnc(-n3c4ccccc4c4c5ccccc5ccc43)nc2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ncc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cn1
InChIInChI=1S/C38H26N4.C38H31N3/c1-25-21-30(26-9-3-2-4-10-26)22-39-37(25)29-17-15-27(16-18-29)31-23-40-38(41-24-31)42-34-14-8-7-13-33(34)36-32-12-6-5-11-28(32)19-20-35(36)42;1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-24-39-38(40-25-33)41-36-13-7-6-12-34(36)35-22-31-10-4-5-11-32(31)23-37(35)41/h2-24H,1H3;4-7,10-26H,1-3,8-9H2
InChIKeyHSBCXMPMFHJOGH-UHFFFAOYSA-N
MW1068.34 g/mol
LogP19.54
Rot. Bonds8

About 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole

5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole (PubChem CID 158570840) has the molecular formula C76H57N7 and a molecular weight of 1068.34 g/mol. Its IUPAC name is 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole
PubChem CID158570840
Molecular FormulaC76H57N7
Molecular Weight1068.34 g/mol
Exact Mass1067.47
IUPAC Name5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole
SMILESCc1cc(-c2ccccc2)cnc1-c1ccc(-c2cnc(-n3c4ccccc4c4c5ccccc5ccc43)nc2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ncc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cn1
InChIInChI=1S/C38H26N4.C38H31N3/c1-25-21-30(26-9-3-2-4-10-26)22-39-37(25)29-17-15-27(16-18-29)31-23-40-38(41-24-31)42-34-14-8-7-13-33(34)36-32-12-6-5-11-28(32)19-20-35(36)42;1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-24-39-38(40-25-33)41-36-13-7-6-12-34(36)35-22-31-10-4-5-11-32(31)23-37(35)41/h2-24H,1H3;4-7,10-26H,1-3,8-9H2
InChIKeyHSBCXMPMFHJOGH-UHFFFAOYSA-N
XLogP19.54
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.34
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole with MolForge

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Related Compounds

3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
9-[4-[4-[8-(3-cyclohexylphenyl)naphthalen-1-yl]phenyl]quinazolin-2-yl]carbazole
CID 177283093
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole?
The IUPAC name of 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole (CID 158570840) is 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole is Cc1cc(-c2ccccc2)cnc1-c1ccc(-c2cnc(-n3c4ccccc4c4c5ccccc5ccc43)nc2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ncc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)cn1.
What is the InChIKey of 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole?
The InChIKey is HSBCXMPMFHJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4.C38H31N3/c1-25-21-30(26-9-3-2-4-10-26)22-39-37(25)29-17-15-27(16-18-29)31-23-40-38(41-24-31)42-34-14-8-7-13-33(34)36-32-12-6-5-11-28(32)19-20-35(36)42;1-2-8-26(9-3-1)27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-24-39-38(40-25-33)41-36-13-7-6-12-34(36)35-22-31-10-4-5-11-32(31)23-37(35)41/h2-24H,1H3;4-7,10-26H,1-3,8-9H2.
What are the key properties of 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole?
5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole has a molecular weight of 1068.34 g/mol, XLogP of 19.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4-cyclohexylphenyl)phenyl]pyrimidin-2-yl]benzo[b]carbazole;7-[5-[4-(3-methyl-5-phenyl-2-pyridinyl)phenyl]pyrimidin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 158570840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).