1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]

C51H36N2 — CID 129084758

IUPAC1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]
SMILESCC12C=CC=CC(C1)C1(c3ccccc3-c3c(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc31)c1ccccc12
InChIInChI=1S/C51H36N2/c1-50-30-11-10-17-39(32-50)51(45-23-9-8-22-44(45)50)43-21-7-6-19-42(43)46-47(41-20-12-16-35-14-4-5-18-40(35)41)52-49(53-48(46)51)36-27-24-34(25-28-36)38-29-26-33-13-2-3-15-37(33)31-38/h2-31,39H,32H2,1H3
InChIKeyOIRCHWQZWSPYPS-UHFFFAOYSA-N
MW676.86 g/mol
LogP12.50
Rot. Bonds3

About 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]

1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] (PubChem CID 129084758) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene].

Molecular Properties

Compound Name1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]
PubChem CID129084758
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]
SMILESCC12C=CC=CC(C1)C1(c3ccccc3-c3c(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc31)c1ccccc12
InChIInChI=1S/C51H36N2/c1-50-30-11-10-17-39(32-50)51(45-23-9-8-22-44(45)50)43-21-7-6-19-42(43)46-47(41-20-12-16-35-14-4-5-18-40(35)41)52-49(53-48(46)51)36-27-24-34(25-28-36)38-29-26-33-13-2-3-15-37(33)31-38/h2-31,39H,32H2,1H3
InChIKeyOIRCHWQZWSPYPS-UHFFFAOYSA-N
XLogP12.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] with MolForge

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Related Compounds

4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129084757
4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 118527726
2-(9a-methyl-5aH-dibenzothiophen-4-yl)-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139441777
17,17-dimethyl-12-naphthalen-1-yl-14-[3-(3-phenylphenyl)phenyl]-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 129129341
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182253
4-(4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]-2-yl)-N,N-diphenylbenzeneamine oxide
CID 129084864
21,21-dimethyl-16-naphthalen-1-yl-18-[3-(3-phenylphenyl)phenyl]-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 129129338
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
4-[(10aR)-10a-methylspiro[8aH-xanthene-9,9'-fluorene]-4'-yl]-2-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126551
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-11,11-dimethyl-13-naphthalen-1-yl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 129129060
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]?
The IUPAC name of 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] (CID 129084758) is 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene].
What is the SMILES notation for 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]?
The canonical SMILES for 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] is CC12C=CC=CC(C1)C1(c3ccccc3-c3c(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc31)c1ccccc12.
What is the InChIKey of 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]?
The InChIKey is OIRCHWQZWSPYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-50-30-11-10-17-39(32-50)51(45-23-9-8-22-44(45)50)43-21-7-6-19-42(43)46-47(41-20-12-16-35-14-4-5-18-40(35)41)52-49(53-48(46)51)36-27-24-34(25-28-36)38-29-26-33-13-2-3-15-37(33)31-38/h2-31,39H,32H2,1H3.
What are the key properties of 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]?
1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] has a molecular weight of 676.86 g/mol, XLogP of 12.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene] is sourced from PubChem (CID 129084758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).