5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

C49H35N5 — CID 145218371

IUPAC5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=C(c2cccc3ccccc23)NC(c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc2)NC1c1ccccc1
InChIInChI=1S/C49H35N5/c1-3-15-33(16-4-1)42-29-43(37-23-13-17-32-14-7-8-20-36(32)37)52-49(51-42)34-26-27-48(50-31-34)54-45-25-12-10-22-39(45)41-28-40-38-21-9-11-24-44(38)53(46(40)30-47(41)54)35-18-5-2-6-19-35/h1-31,42,49,51-52H
InChIKeyPWUYTECDDDEYIO-UHFFFAOYSA-N
MW693.85 g/mol
LogP11.40
Rot. Bonds5

About 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 145218371) has the molecular formula C49H35N5 and a molecular weight of 693.85 g/mol. Its IUPAC name is 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID145218371
Molecular FormulaC49H35N5
Molecular Weight693.85 g/mol
Exact Mass693.29
IUPAC Name5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=C(c2cccc3ccccc23)NC(c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc2)NC1c1ccccc1
InChIInChI=1S/C49H35N5/c1-3-15-33(16-4-1)42-29-43(37-23-13-17-32-14-7-8-20-36(32)37)52-49(51-42)34-26-27-48(50-31-34)54-45-25-12-10-22-39(45)41-28-40-38-21-9-11-24-44(38)53(46(40)30-47(41)54)35-18-5-2-6-19-35/h1-31,42,49,51-52H
InChIKeyPWUYTECDDDEYIO-UHFFFAOYSA-N
XLogP11.40
TPSA46.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 511.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 137067046
7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 163454570
7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
CID 163618341
5-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677982
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
12-[4-(6-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-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 145156400
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130184193
5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 134427122
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (CID 145218371) is 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is C1=C(c2cccc3ccccc23)NC(c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc2)NC1c1ccccc1.
What is the InChIKey of 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is PWUYTECDDDEYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N5/c1-3-15-33(16-4-1)42-29-43(37-23-13-17-32-14-7-8-20-36(32)37)52-49(51-42)34-26-27-48(50-31-34)54-45-25-12-10-22-39(45)41-28-40-38-21-9-11-24-44(38)53(46(40)30-47(41)54)35-18-5-2-6-19-35/h1-31,42,49,51-52H.
What are the key properties of 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 693.85 g/mol, XLogP of 11.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 145218371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).