9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole

C63H41N3 — CID 167257276

IUPAC9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C63H41N3/c1-4-18-43(19-5-1)62-64-58(44-34-37-52-51-26-12-15-29-56(51)63(57(52)40-44,45-20-6-2-7-21-45)46-22-8-3-9-23-46)41-59(65-62)53-39-38-48(49-24-10-11-25-50(49)53)42-32-35-47(36-33-42)66-60-30-16-13-27-54(60)55-28-14-17-31-61(55)66/h1-41H
InChIKeyVAKPGMNCCKANSF-UHFFFAOYSA-N
MW840.04 g/mol
LogP15.76
Rot. Bonds7

About 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole

9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole (PubChem CID 167257276) has the molecular formula C63H41N3 and a molecular weight of 840.04 g/mol. Its IUPAC name is 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
PubChem CID167257276
Molecular FormulaC63H41N3
Molecular Weight840.04 g/mol
Exact Mass839.33
IUPAC Name9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C63H41N3/c1-4-18-43(19-5-1)62-64-58(44-34-37-52-51-26-12-15-29-56(51)63(57(52)40-44,45-20-6-2-7-21-45)46-22-8-3-9-23-46)41-59(65-62)53-39-38-48(49-24-10-11-25-50(49)53)42-32-35-47(36-33-42)66-60-30-16-13-27-54(60)55-28-14-17-31-61(55)66/h1-41H
InChIKeyVAKPGMNCCKANSF-UHFFFAOYSA-N
XLogP15.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 167257271
9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237278
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500828
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
9-[4-(2-phenyl-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]carbazole
CID 139306445
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
CID 137413800
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 159047884
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole (CID 167257276) is 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?
The InChIKey is VAKPGMNCCKANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3/c1-4-18-43(19-5-1)62-64-58(44-34-37-52-51-26-12-15-29-56(51)63(57(52)40-44,45-20-6-2-7-21-45)46-22-8-3-9-23-46)41-59(65-62)53-39-38-48(49-24-10-11-25-50(49)53)42-32-35-47(36-33-42)66-60-30-16-13-27-54(60)55-28-14-17-31-61(55)66/h1-41H.
What are the key properties of 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole has a molecular weight of 840.04 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 167257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).