4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine

C60H44N2 — CID 168777302

IUPAC4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6c(ccc8ccccc68)C7(C)C)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C60H44N2/c1-59(2)50-23-13-12-21-47(50)57-48(22-14-24-52(57)59)55-36-54(61-58(62-55)40-16-6-5-7-17-40)46-32-31-42(44-19-10-11-20-45(44)46)39-27-25-37(26-28-39)41-30-33-51-49(35-41)56-43-18-9-8-15-38(43)29-34-53(56)60(51,3)4/h5-36H,1-4H3
InChIKeyQVHCVXUUAHTMGZ-UHFFFAOYSA-N
MW793.03 g/mol
LogP15.73
Rot. Bonds5

About 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine

4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine (PubChem CID 168777302) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
PubChem CID168777302
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6c(ccc8ccccc68)C7(C)C)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C60H44N2/c1-59(2)50-23-13-12-21-47(50)57-48(22-14-24-52(57)59)55-36-54(61-58(62-55)40-16-6-5-7-17-40)46-32-31-42(44-19-10-11-20-45(44)46)39-27-25-37(26-28-39)41-30-33-51-49(35-41)56-43-18-9-8-15-38(43)29-34-53(56)60(51,3)4/h5-36H,1-4H3
InChIKeyQVHCVXUUAHTMGZ-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168778780
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778978
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168778339
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779810
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778711
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine (CID 168777302) is 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)-c6c(ccc8ccccc68)C7(C)C)cc5)c5ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The InChIKey is QVHCVXUUAHTMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)50-23-13-12-21-47(50)57-48(22-14-24-52(57)59)55-36-54(61-58(62-55)40-16-6-5-7-17-40)46-32-31-42(44-19-10-11-20-45(44)46)39-27-25-37(26-28-39)41-30-33-51-49(35-41)56-43-18-9-8-15-38(43)29-34-53(56)60(51,3)4/h5-36H,1-4H3.
What are the key properties of 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine has a molecular weight of 793.03 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine is sourced from PubChem (CID 168777302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).