2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine

C145H96N6 — CID 160756912

IUPAC2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c5c(cc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cn2)cc1
InChIInChI=1S/C51H34N2.C49H32N2.C45H30N2/c1-5-17-35(18-6-1)46-30-29-38(34-52-46)39-32-47(36-19-7-2-8-20-36)53-48(33-39)50-42-26-14-13-21-37(42)31-45-49(50)43-27-15-16-28-44(43)51(45,40-22-9-3-10-23-40)41-24-11-4-12-25-41;1-4-17-34(18-5-1)44-32-45(37-29-28-33-16-10-11-19-35(33)30-37)51-48(50-44)47-40-25-13-12-20-36(40)31-43-46(47)41-26-14-15-27-42(41)49(43,38-21-6-2-7-22-38)39-23-8-3-9-24-39;1-5-17-31(18-6-1)40-30-41(32-19-7-2-8-20-32)47-44(46-40)43-36-26-14-13-21-33(36)29-39-42(43)37-27-15-16-28-38(37)45(39,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-34H;1-32H;1-30H
InChIKeyRXOALJCQAGDQFJ-UHFFFAOYSA-N
MW1922.41 g/mol
LogP35.80
Rot. Bonds16

About 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine (PubChem CID 160756912) has the molecular formula C145H96N6 and a molecular weight of 1922.41 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine
PubChem CID160756912
Molecular FormulaC145H96N6
Molecular Weight1922.41 g/mol
Exact Mass1920.77
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c5c(cc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cn2)cc1
InChIInChI=1S/C51H34N2.C49H32N2.C45H30N2/c1-5-17-35(18-6-1)46-30-29-38(34-52-46)39-32-47(36-19-7-2-8-20-36)53-48(33-39)50-42-26-14-13-21-37(42)31-45-49(50)43-27-15-16-28-44(43)51(45,40-22-9-3-10-23-40)41-24-11-4-12-25-41;1-4-17-34(18-5-1)44-32-45(37-29-28-33-16-10-11-19-35(33)30-37)51-48(50-44)47-40-25-13-12-20-36(40)31-43-46(47)41-26-14-15-27-42(41)49(43,38-21-6-2-7-22-38)39-23-8-3-9-24-39;1-5-17-31(18-6-1)40-30-41(32-19-7-2-8-20-32)47-44(46-40)43-36-26-14-13-21-33(36)29-39-42(43)37-27-15-16-28-38(37)45(39,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-34H;1-32H;1-30H
InChIKeyRXOALJCQAGDQFJ-UHFFFAOYSA-N
XLogP35.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.41
LogP ≤ 535.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine with MolForge

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Related Compounds

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163808088
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
2-(3,5-diphenylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;2,6-diphenyl-4-[3-(5-phenyl-2-pyridinyl)-5-pyridin-2-ylphenyl]pyridine;2-naphthalen-2-yl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 158038304
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine (CID 160756912) is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c5c(cc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cn2)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine?
The InChIKey is RXOALJCQAGDQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C49H32N2.C45H30N2/c1-5-17-35(18-6-1)46-30-29-38(34-52-46)39-32-47(36-19-7-2-8-20-36)53-48(33-39)50-42-26-14-13-21-37(42)31-45-49(50)43-27-15-16-28-44(43)51(45,40-22-9-3-10-23-40)41-24-11-4-12-25-41;1-4-17-34(18-5-1)44-32-45(37-29-28-33-16-10-11-19-35(33)30-37)51-48(50-44)47-40-25-13-12-20-36(40)31-43-46(47)41-26-14-15-27-42(41)49(43,38-21-6-2-7-22-38)39-23-8-3-9-24-39;1-5-17-31(18-6-1)40-30-41(32-19-7-2-8-20-32)47-44(46-40)43-36-26-14-13-21-33(36)29-39-42(43)37-27-15-16-28-38(37)45(39,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-34H;1-32H;1-30H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine?
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine has a molecular weight of 1922.41 g/mol, XLogP of 35.80, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine is sourced from PubChem (CID 160756912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).