2,8-diphenylperylene

C32H20 — CID 59642615

IUPAC2,8-diphenylperylene
SMILESc1ccc(-c2cc3cccc4c5cc(-c6ccccc6)cc6cccc(c(c2)c34)c65)cc1
InChIInChI=1S/C32H20/c1-3-9-21(10-4-1)25-17-23-13-7-16-28-30-20-26(22-11-5-2-6-12-22)18-24-14-8-15-27(32(24)30)29(19-25)31(23)28/h1-20H
InChIKeyNZINTBULZMEBHE-UHFFFAOYSA-N
MW404.51 g/mol
LogP9.07
Rot. Bonds2

About 2,8-diphenylperylene

2,8-diphenylperylene (PubChem CID 59642615) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2,8-diphenylperylene.

Molecular Properties

Compound Name2,8-diphenylperylene
PubChem CID59642615
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2,8-diphenylperylene
SMILESc1ccc(-c2cc3cccc4c5cc(-c6ccccc6)cc6cccc(c(c2)c34)c65)cc1
InChIInChI=1S/C32H20/c1-3-9-21(10-4-1)25-17-23-13-7-16-28-30-20-26(22-11-5-2-6-12-22)18-24-14-8-15-27(32(24)30)29(19-25)31(23)28/h1-20H
InChIKeyNZINTBULZMEBHE-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 58068171
1-phenyl-3-pyren-2-yltriphenylene
CID 165375580
2-[4-[3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167410521
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2,6-diphenylpyrimidine
CID 167412739
3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 167410735
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227
6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
8-(3,5-diphenylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59642382
2,3,5,6-tetradeuterio-N-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 167412036

Frequently Asked Questions

What is the IUPAC name of 2,8-diphenylperylene?
The IUPAC name of 2,8-diphenylperylene (CID 59642615) is 2,8-diphenylperylene.
What is the SMILES notation for 2,8-diphenylperylene?
The canonical SMILES for 2,8-diphenylperylene is c1ccc(-c2cc3cccc4c5cc(-c6ccccc6)cc6cccc(c(c2)c34)c65)cc1.
What is the InChIKey of 2,8-diphenylperylene?
The InChIKey is NZINTBULZMEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20/c1-3-9-21(10-4-1)25-17-23-13-7-16-28-30-20-26(22-11-5-2-6-12-22)18-24-14-8-15-27(32(24)30)29(19-25)31(23)28/h1-20H.
What are the key properties of 2,8-diphenylperylene?
2,8-diphenylperylene has a molecular weight of 404.51 g/mol, XLogP of 9.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenylperylene is sourced from PubChem (CID 59642615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).