4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine

C47H34N2O — CID 146321789

IUPAC4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)NC(c2ccc(-c3ccccc3)cc2)NC1c1ccccc1
InChIInChI=1S/C47H34N2O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)46-48-42(33-15-5-2-6-16-33)30-43(49-46)35-27-28-39-37(29-35)36-17-7-8-18-38(36)47(39)40-19-9-11-21-44(40)50-45-22-12-10-20-41(45)47/h1-30,42,46,48-49H
InChIKeyFCZAQQQRDVYUIT-UHFFFAOYSA-N
MW642.80 g/mol
LogP10.80
Rot. Bonds4

About 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine (PubChem CID 146321789) has the molecular formula C47H34N2O and a molecular weight of 642.80 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine
PubChem CID146321789
Molecular FormulaC47H34N2O
Molecular Weight642.80 g/mol
Exact Mass642.27
IUPAC Name4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)NC(c2ccc(-c3ccccc3)cc2)NC1c1ccccc1
InChIInChI=1S/C47H34N2O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)46-48-42(33-15-5-2-6-16-33)30-43(49-46)35-27-28-39-37(29-35)36-17-7-8-18-38(36)47(39)40-19-9-11-21-44(40)50-45-22-12-10-20-41(45)47/h1-30,42,46,48-49H
InChIKeyFCZAQQQRDVYUIT-UHFFFAOYSA-N
XLogP10.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 510.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-diphenyl-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263547
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795
2'-[3-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263707
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2'-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-10-phenylspiro[acridine-9,11'-benzo[b]fluorene]
CID 134304045
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
CID 146321805
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine (CID 146321789) is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine is C1=C(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)NC(c2ccc(-c3ccccc3)cc2)NC1c1ccccc1.
What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is FCZAQQQRDVYUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)46-48-42(33-15-5-2-6-16-33)30-43(49-46)35-27-28-39-37(29-35)36-17-7-8-18-38(36)47(39)40-19-9-11-21-44(40)50-45-22-12-10-20-41(45)47/h1-30,42,46,48-49H.
What are the key properties of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine?
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 642.80 g/mol, XLogP of 10.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 146321789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).