9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole

C55H37N3 — CID 176632504

IUPAC9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole
SMILESC1=Cc2cccc(-c3cc(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)c2C(c2ccccc2)=CC1
InChIInChI=1S/C55H37N3/c1-4-15-37(16-5-1)46-23-11-10-17-38-20-14-25-48(54(38)46)51-36-50(56-55(57-51)39-18-6-2-7-19-39)44-30-29-40-33-41(27-28-42(40)34-44)43-31-32-53-49(35-43)47-24-12-13-26-52(47)58(53)45-21-8-3-9-22-45/h1-10,12-36H,11H2
InChIKeyKKPNIJFEJGFIJU-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.24
Rot. Bonds6

About 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole

9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole (PubChem CID 176632504) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole
PubChem CID176632504
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole
SMILESC1=Cc2cccc(-c3cc(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)c2C(c2ccccc2)=CC1
InChIInChI=1S/C55H37N3/c1-4-15-37(16-5-1)46-23-11-10-17-38-20-14-25-48(54(38)46)51-36-50(56-55(57-51)39-18-6-2-7-19-39)44-30-29-40-33-41(27-28-42(40)34-44)43-31-32-53-49(35-43)47-24-12-13-26-52(47)58(53)45-21-8-3-9-22-45/h1-10,12-36H,11H2
InChIKeyKKPNIJFEJGFIJU-UHFFFAOYSA-N
XLogP14.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236907
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole (CID 176632504) is 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole is C1=Cc2cccc(-c3cc(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)c2C(c2ccccc2)=CC1.
What is the InChIKey of 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole?
The InChIKey is KKPNIJFEJGFIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-4-15-37(16-5-1)46-23-11-10-17-38-20-14-25-48(54(38)46)51-36-50(56-55(57-51)39-18-6-2-7-19-39)44-30-29-40-33-41(27-28-42(40)34-44)43-31-32-53-49(35-43)47-24-12-13-26-52(47)58(53)45-21-8-3-9-22-45/h1-10,12-36H,11H2.
What are the key properties of 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole?
9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole has a molecular weight of 739.92 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[6-[2-phenyl-6-(5-phenyl-7H-benzo[7]annulen-4-yl)pyrimidin-4-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 176632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).