5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene

C72H48 — CID 160818251

IUPAC5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C42H28.C30H20/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(22-13-5-2-6-14-22)28-20-24-16-8-7-15-23(24)19-27(28)29/h1-28H;1-20H
InChIKeySFEUALKKRKWXEE-UHFFFAOYSA-N
MW913.18 g/mol
LogP20.29
Rot. Bonds6

About 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene

5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene (PubChem CID 160818251) has the molecular formula C72H48 and a molecular weight of 913.18 g/mol. Its IUPAC name is 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene.

Molecular Properties

Compound Name5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
PubChem CID160818251
Molecular FormulaC72H48
Molecular Weight913.18 g/mol
Exact Mass912.38
IUPAC Name5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C42H28.C30H20/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(22-13-5-2-6-14-22)28-20-24-16-8-7-15-23(24)19-27(28)29/h1-28H;1-20H
InChIKeySFEUALKKRKWXEE-UHFFFAOYSA-N
XLogP20.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.18
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
5-phenoxy-12-phenyltetracene
CID 59758379
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
CID 140792268

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene?
The IUPAC name of 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene (CID 160818251) is 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene.
What is the SMILES notation for 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene?
The canonical SMILES for 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene?
The InChIKey is SFEUALKKRKWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.C30H20/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-3-11-21(12-4-1)29-25-17-9-10-18-26(25)30(22-13-5-2-6-14-22)28-20-24-16-8-7-15-23(24)19-27(28)29/h1-28H;1-20H.
What are the key properties of 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene?
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene has a molecular weight of 913.18 g/mol, XLogP of 20.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene is sourced from PubChem (CID 160818251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).