2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

C67H44N2 — CID 168778962

IUPAC2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C67H44N2/c1-5-20-45(21-6-1)52-29-15-18-33-58(52)63-44-62(49-23-7-2-8-24-49)68-66(69-63)59-42-41-53(56-31-16-17-32-57(56)59)47-36-38-48(39-37-47)55-34-19-35-60-64(55)65-54-30-14-13-22-46(54)40-43-61(65)67(60,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-44H
InChIKeyALKSHTBQQAVTKV-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.15
Rot. Bonds8

About 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168778962) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168778962
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC Name2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C67H44N2/c1-5-20-45(21-6-1)52-29-15-18-33-58(52)63-44-62(49-23-7-2-8-24-49)68-66(69-63)59-42-41-53(56-31-16-17-32-57(56)59)47-36-38-48(39-37-47)55-34-19-35-60-64(55)65-54-30-14-13-22-46(54)40-43-61(65)67(60,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-44H
InChIKeyALKSHTBQQAVTKV-UHFFFAOYSA-N
XLogP17.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777450
4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779543
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
5-[4-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
CID 162775821
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168778962) is 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5-c5c(ccc7ccccc57)C6(c5ccccc5)c5ccccc5)cc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is ALKSHTBQQAVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-5-20-45(21-6-1)52-29-15-18-33-58(52)63-44-62(49-23-7-2-8-24-49)68-66(69-63)59-42-41-53(56-31-16-17-32-57(56)59)47-36-38-48(39-37-47)55-34-19-35-60-64(55)65-54-30-14-13-22-46(54)40-43-61(65)67(60,50-25-9-3-10-26-50)51-27-11-4-12-28-51/h1-44H.
What are the key properties of 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 877.10 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).