7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine

C45H29N3 — CID 142550922

IUPAC7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc3c(c(-c4cccc5ccccc45)n2)Cc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2-3)cc1
InChIInChI=1S/C45H29N3/c1-2-13-30(14-3-1)45-46-43-36-25-24-32(26-33(36)28-40(43)44(47-45)39-21-11-15-29-12-4-5-18-35(29)39)31-16-10-17-34(27-31)48-41-22-8-6-19-37(41)38-20-7-9-23-42(38)48/h1-27H,28H2
InChIKeyNSNIVTYJBFDEJM-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.30
Rot. Bonds4

About 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine

7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 142550922) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID142550922
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc3c(c(-c4cccc5ccccc45)n2)Cc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2-3)cc1
InChIInChI=1S/C45H29N3/c1-2-13-30(14-3-1)45-46-43-36-25-24-32(26-33(36)28-40(43)44(47-45)39-21-11-15-29-12-4-5-18-35(29)39)31-16-10-17-34(27-31)48-41-22-8-6-19-37(41)38-20-7-9-23-42(38)48/h1-27H,28H2
InChIKeyNSNIVTYJBFDEJM-UHFFFAOYSA-N
XLogP11.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551063
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 161094914
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine (CID 142550922) is 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc3c(c(-c4cccc5ccccc45)n2)Cc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2-3)cc1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is NSNIVTYJBFDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-13-30(14-3-1)45-46-43-36-25-24-32(26-33(36)28-40(43)44(47-45)39-21-11-15-29-12-4-5-18-35(29)39)31-16-10-17-34(27-31)48-41-22-8-6-19-37(41)38-20-7-9-23-42(38)48/h1-27H,28H2.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine?
7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 611.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 142550922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).