4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

C51H33N3 — CID 118372572

IUPAC4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3nc4c(c(-c5cccc6ccccc56)n3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C51H33N3/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)50-52-48(40-24-15-19-36-18-7-8-22-39(36)40)47-49(53-50)41-23-9-10-25-42(41)51(47)43-26-11-13-28-45(43)54(38-20-5-2-6-21-38)46-29-14-12-27-44(46)51/h1-33H
InChIKeyOWFJBCKVVBCJKL-UHFFFAOYSA-N
MW687.85 g/mol
LogP12.78
Rot. Bonds4

About 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (PubChem CID 118372572) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine].

Molecular Properties

Compound Name4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
PubChem CID118372572
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3nc4c(c(-c5cccc6ccccc56)n3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C51H33N3/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)50-52-48(40-24-15-19-36-18-7-8-22-39(36)40)47-49(53-50)41-23-9-10-25-42(41)51(47)43-26-11-13-28-45(43)54(38-20-5-2-6-21-38)46-29-14-12-27-44(46)51/h1-33H
InChIKeyOWFJBCKVVBCJKL-UHFFFAOYSA-N
XLogP12.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372584
2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine];2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine];4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine]
CID 157266633
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 140910464
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
CID 159294131
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
10-phenyl-2'-[2-(2-phenylquinazolin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 129263859
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788

Frequently Asked Questions

What is the IUPAC name of 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The IUPAC name of 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (CID 118372572) is 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine].
What is the SMILES notation for 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The canonical SMILES for 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is c1ccc(-c2ccc(-c3nc4c(c(-c5cccc6ccccc56)n3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The InChIKey is OWFJBCKVVBCJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)50-52-48(40-24-15-19-36-18-7-8-22-39(36)40)47-49(53-50)41-23-9-10-25-42(41)51(47)43-26-11-13-28-45(43)54(38-20-5-2-6-21-38)46-29-14-12-27-44(46)51/h1-33H.
What are the key properties of 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] has a molecular weight of 687.85 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is sourced from PubChem (CID 118372572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).