6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine

C53H50N2 — CID 170410086

IUPAC6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine
SMILESCC1(C)C2=C(C=CC(C3=CCC(C4=CC(C5CC=C(c6ccccc6)CC5)NC(c5ccccc5)N4)C=C3)C2)c2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C53H50N2/c1-53(2)46-32-42(30-31-45(46)51-47(53)33-43-20-12-13-21-44(43)50(51)40-16-8-4-9-17-40)37-24-28-39(29-25-37)49-34-48(54-52(55-49)41-18-10-5-11-19-41)38-26-22-36(23-27-38)35-14-6-3-7-15-35/h3-22,24-25,28,30-31,33-34,38-39,42,48,52,54-55H,23,26-27,29,32H2,1-2H3
InChIKeySDUDILFPPFEOSS-UHFFFAOYSA-N
MW715.00 g/mol
LogP12.66
Rot. Bonds6

About 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine

6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine (PubChem CID 170410086) has the molecular formula C53H50N2 and a molecular weight of 715.00 g/mol. Its IUPAC name is 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine
PubChem CID170410086
Molecular FormulaC53H50N2
Molecular Weight715.00 g/mol
Exact Mass714.40
IUPAC Name6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine
SMILESCC1(C)C2=C(C=CC(C3=CCC(C4=CC(C5CC=C(c6ccccc6)CC5)NC(c5ccccc5)N4)C=C3)C2)c2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C53H50N2/c1-53(2)46-32-42(30-31-45(46)51-47(53)33-43-20-12-13-21-44(43)50(51)40-16-8-4-9-17-40)37-24-28-39(29-25-37)49-34-48(54-52(55-49)41-18-10-5-11-19-41)38-26-22-36(23-27-38)35-14-6-3-7-15-35/h3-22,24-25,28,30-31,33-34,38-39,42,48,52,54-55H,23,26-27,29,32H2,1-2H3
InChIKeySDUDILFPPFEOSS-UHFFFAOYSA-N
XLogP12.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.00
LogP ≤ 512.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(11,11-dimethyl-2-naphthalen-2-yl-1,2-dihydrobenzo[b]fluoren-5-yl)phenyl]-3,4-diphenyl-1,2-dihydro-1,3-diazet-3-ium
CID 167196523
3-(11,11-dimethyl-1,2-dihydrobenzo[b]fluoren-5-yl)-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3-diazet-3-ium
CID 167195537
3-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 137420875
2-[3-[10-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 155198150
9-[4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline
CID 170410980
12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene
CID 91079883
1-[4-[9,9-dimethyl-7-(4-pyren-2-ylphenyl)-7,8-dihydrofluoren-2-yl]phenyl]pyrene
CID 143159150
9-[5-(5-phenylspiro[1,2-dihydrobenzo[b]fluorene-11,9'-4a,9a-dihydrofluorene]-2-yl)cyclohexa-1,3-dien-1-yl]-1,2,10,10a-tetrahydro-1,10-phenanthroline
CID 170412101
6-benzo[a]anthracen-7-yl-2-phenyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydropyrimidine
CID 167250119
8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene
CID 174272666
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
5-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,9-dimethyl-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,7,11,13,15(23),17,19,21-decaene
CID 163559245

Frequently Asked Questions

What is the IUPAC name of 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine (CID 170410086) is 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine is CC1(C)C2=C(C=CC(C3=CCC(C4=CC(C5CC=C(c6ccccc6)CC5)NC(c5ccccc5)N4)C=C3)C2)c2c1cc1ccccc1c2-c1ccccc1.
What is the InChIKey of 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine?
The InChIKey is SDUDILFPPFEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N2/c1-53(2)46-32-42(30-31-45(46)51-47(53)33-43-20-12-13-21-44(43)50(51)40-16-8-4-9-17-40)37-24-28-39(29-25-37)49-34-48(54-52(55-49)41-18-10-5-11-19-41)38-26-22-36(23-27-38)35-14-6-3-7-15-35/h3-22,24-25,28,30-31,33-34,38-39,42,48,52,54-55H,23,26-27,29,32H2,1-2H3.
What are the key properties of 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine?
6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine has a molecular weight of 715.00 g/mol, XLogP of 12.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(11,11-dimethyl-5-phenyl-1,2-dihydrobenzo[b]fluoren-2-yl)cyclohexa-2,4-dien-1-yl]-2-phenyl-4-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 170410086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).