7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole

C58H39N3 — CID 137214923

IUPAC7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4ccc32)cc1
InChIInChI=1S/C58H39N3/c1-3-13-39(14-4-1)53-37-54(60-58(59-53)41-15-5-2-6-16-41)40-26-30-48(31-27-40)61-55-21-10-9-19-52(55)57-51-32-28-45(36-47(51)29-33-56(57)61)42-22-23-44-35-46(25-24-43(44)34-42)50-20-11-17-38-12-7-8-18-49(38)50/h1-37,58-59H
InChIKeyHFBZJVPMEOZHKF-UHFFFAOYSA-N
MW777.97 g/mol
LogP14.71
Rot. Bonds6

About 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole

7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 137214923) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID137214923
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4ccc32)cc1
InChIInChI=1S/C58H39N3/c1-3-13-39(14-4-1)53-37-54(60-58(59-53)41-15-5-2-6-16-41)40-26-30-48(31-27-40)61-55-21-10-9-19-52(55)57-51-32-28-45(36-47(51)29-33-56(57)61)42-22-23-44-35-46(25-24-43(44)34-42)50-20-11-17-38-12-7-8-18-49(38)50/h1-37,58-59H
InChIKeyHFBZJVPMEOZHKF-UHFFFAOYSA-N
XLogP14.71
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 514.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
12-[3-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144942983
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257395
12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156331
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (CID 137214923) is 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4ccc32)cc1.
What is the InChIKey of 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is HFBZJVPMEOZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-13-39(14-4-1)53-37-54(60-58(59-53)41-15-5-2-6-16-41)40-26-30-48(31-27-40)61-55-21-10-9-19-52(55)57-51-32-28-45(36-47(51)29-33-56(57)61)42-22-23-44-35-46(25-24-43(44)34-42)50-20-11-17-38-12-7-8-18-49(38)50/h1-37,58-59H.
What are the key properties of 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 777.97 g/mol, XLogP of 14.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 137214923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).