5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole

C50H35N3 — CID 166750474

IUPAC5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole
SMILESC1=C(c2ccc3ccccc3c2)NC(C2=Cc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3CC2)N=C1c1ccc2ccccc2c1
InChIInChI=1S/C50H35N3/c1-3-11-34-25-40(20-17-32(34)9-1)46-31-47(41-21-18-33-10-2-4-12-35(33)26-41)52-50(51-46)42-22-19-39-28-43(24-23-38(39)27-42)53-48-16-8-7-15-44(48)45-29-36-13-5-6-14-37(36)30-49(45)53/h1-18,20-21,23-31,50-51H,19,22H2
InChIKeyNXOLORDZGRIDEX-UHFFFAOYSA-N
MW677.85 g/mol
LogP12.03
Rot. Bonds4

About 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole

5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole (PubChem CID 166750474) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole
PubChem CID166750474
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole
SMILESC1=C(c2ccc3ccccc3c2)NC(C2=Cc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3CC2)N=C1c1ccc2ccccc2c1
InChIInChI=1S/C50H35N3/c1-3-11-34-25-40(20-17-32(34)9-1)46-31-47(41-21-18-33-10-2-4-12-35(33)26-41)52-50(51-46)42-22-19-39-28-43(24-23-38(39)27-42)53-48-16-8-7-15-44(48)45-29-36-13-5-6-14-37(36)30-49(45)53/h1-18,20-21,23-31,50-51H,19,22H2
InChIKeyNXOLORDZGRIDEX-UHFFFAOYSA-N
XLogP12.03
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 512.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole (CID 166750474) is 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole is C1=C(c2ccc3ccccc3c2)NC(C2=Cc3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3CC2)N=C1c1ccc2ccccc2c1.
What is the InChIKey of 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole?
The InChIKey is NXOLORDZGRIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-3-11-34-25-40(20-17-32(34)9-1)46-31-47(41-21-18-33-10-2-4-12-35(33)26-41)52-50(51-46)42-22-19-39-28-43(24-23-38(39)27-42)53-48-16-8-7-15-44(48)45-29-36-13-5-6-14-37(36)30-49(45)53/h1-18,20-21,23-31,50-51H,19,22H2.
What are the key properties of 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole?
5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole has a molecular weight of 677.85 g/mol, XLogP of 12.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)-7,8-dihydronaphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).