4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine

C38H30N2 — CID 71072513

IUPAC4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2-c2ccccc2[C@H]1C
InChIInChI=1S/C38H30N2/c1-25-26(2)37-32(18-11-19-34(37)33-17-10-9-16-31(25)33)27-20-22-29(23-21-27)36-24-35(28-12-5-3-6-13-28)39-38(40-36)30-14-7-4-8-15-30/h3-26H,1-2H3/t25-,26?/m0/s1
InChIKeyMCEGAIBNFNLPQX-PMCHYTPCSA-N
MW514.67 g/mol
LogP10.03
Rot. Bonds4

About 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine

4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 71072513) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID71072513
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2-c2ccccc2[C@H]1C
InChIInChI=1S/C38H30N2/c1-25-26(2)37-32(18-11-19-34(37)33-17-10-9-16-31(25)33)27-20-22-29(23-21-27)36-24-35(28-12-5-3-6-13-28)39-38(40-36)30-14-7-4-8-15-30/h3-26H,1-2H3/t25-,26?/m0/s1
InChIKeyMCEGAIBNFNLPQX-PMCHYTPCSA-N
XLogP10.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-phenyl-4-(2-phenylphenyl)-6-[4-[11-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]pyrimidine
CID 165151570
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
CID 167113736
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine (CID 71072513) is 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine is CC1c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2-c2ccccc2[C@H]1C.
What is the InChIKey of 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is MCEGAIBNFNLPQX-PMCHYTPCSA-N. The full InChI is InChI=1S/C38H30N2/c1-25-26(2)37-32(18-11-19-34(37)33-17-10-9-16-31(25)33)27-20-22-29(23-21-27)36-24-35(28-12-5-3-6-13-28)39-38(40-36)30-14-7-4-8-15-30/h3-26H,1-2H3/t25-,26?/m0/s1.
What are the key properties of 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 514.67 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 71072513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).