5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole

C146H90F4N2 — CID 158479686

IUPAC5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3c4ccccc4c(-c4cc(-c5ccc(F)cc5)cc(-c5ccc(F)cc5)c4)c4cc5ccccc5cc34)c2)cc1.c1ccc(-c2cc3ccccc3cc2-c2c3ccccc3c(-c3cc4ccccc4cc3-c3ccccc3)c3cc4ccccc4cc23)cc1.c1ccc2cc3c(-n4c5ccccc5c5ccccc54)c4ccccc4c(-n4c5ccccc5c5ccccc54)c3cc2c1
InChIInChI=1S/C54H32F4.C50H32.C42H26N2/c55-45-17-9-33(10-18-45)39-25-40(34-11-19-46(56)20-12-34)28-43(27-39)53-49-7-3-4-8-50(49)54(52-32-38-6-2-1-5-37(38)31-51(52)53)44-29-41(35-13-21-47(57)22-14-35)26-42(30-44)36-15-23-48(58)24-16-36;1-3-15-33(16-4-1)43-27-35-19-7-9-21-37(35)29-45(43)49-41-25-13-14-26-42(41)50(48-32-40-24-12-11-23-39(40)31-47(48)49)46-30-38-22-10-8-20-36(38)28-44(46)34-17-5-2-6-18-34;1-2-14-28-26-36-35(25-27(28)13-1)41(43-37-21-9-5-15-29(37)30-16-6-10-22-38(30)43)33-19-3-4-20-34(33)42(36)44-39-23-11-7-17-31(39)32-18-8-12-24-40(32)44/h1-32H;1-32H;1-26H
InChIKeyHHJGUFACLQJIFW-UHFFFAOYSA-N
MW1948.33 g/mol
LogP41.17
Rot. Bonds12

About 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole

5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole (PubChem CID 158479686) has the molecular formula C146H90F4N2 and a molecular weight of 1948.33 g/mol. Its IUPAC name is 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole.

Molecular Properties

Compound Name5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole
PubChem CID158479686
Molecular FormulaC146H90F4N2
Molecular Weight1948.33 g/mol
Exact Mass1946.70
IUPAC Name5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3c4ccccc4c(-c4cc(-c5ccc(F)cc5)cc(-c5ccc(F)cc5)c4)c4cc5ccccc5cc34)c2)cc1.c1ccc(-c2cc3ccccc3cc2-c2c3ccccc3c(-c3cc4ccccc4cc3-c3ccccc3)c3cc4ccccc4cc23)cc1.c1ccc2cc3c(-n4c5ccccc5c5ccccc54)c4ccccc4c(-n4c5ccccc5c5ccccc54)c3cc2c1
InChIInChI=1S/C54H32F4.C50H32.C42H26N2/c55-45-17-9-33(10-18-45)39-25-40(34-11-19-46(56)20-12-34)28-43(27-39)53-49-7-3-4-8-50(49)54(52-32-38-6-2-1-5-37(38)31-51(52)53)44-29-41(35-13-21-47(57)22-14-35)26-42(30-44)36-15-23-48(58)24-16-36;1-3-15-33(16-4-1)43-27-35-19-7-9-21-37(35)29-45(43)49-41-25-13-14-26-42(41)50(48-32-40-24-12-11-23-39(40)31-47(48)49)46-30-38-22-10-8-20-36(38)28-44(46)34-17-5-2-6-18-34;1-2-14-28-26-36-35(25-27(28)13-1)41(43-37-21-9-5-15-29(37)30-16-6-10-22-38(30)43)33-19-3-4-20-34(33)42(36)44-39-23-11-7-17-31(39)32-18-8-12-24-40(32)44/h1-32H;1-32H;1-26H
InChIKeyHHJGUFACLQJIFW-UHFFFAOYSA-N
XLogP41.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001948.33
LogP ≤ 541.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole with MolForge

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Related Compounds

9-[10-(2,3,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(3,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 161273548
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
5-(2,5-diphenylphenyl)-12-phenyltetracene;5-(3,5-diphenylphenyl)-12-phenyltetracene;5-(2-phenylphenyl)-12-(3-phenylphenyl)tetracene;5-phenyl-12-(2-phenylphenyl)tetracene;5-phenyl-12-(3-phenylphenyl)tetracene
CID 158460442
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90336953
20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310204
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
9-(2,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene
CID 159937267
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole?
The IUPAC name of 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole (CID 158479686) is 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole.
What is the SMILES notation for 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole?
The canonical SMILES for 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole is Fc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3c4ccccc4c(-c4cc(-c5ccc(F)cc5)cc(-c5ccc(F)cc5)c4)c4cc5ccccc5cc34)c2)cc1.c1ccc(-c2cc3ccccc3cc2-c2c3ccccc3c(-c3cc4ccccc4cc3-c3ccccc3)c3cc4ccccc4cc23)cc1.c1ccc2cc3c(-n4c5ccccc5c5ccccc54)c4ccccc4c(-n4c5ccccc5c5ccccc54)c3cc2c1.
What is the InChIKey of 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole?
The InChIKey is HHJGUFACLQJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32F4.C50H32.C42H26N2/c55-45-17-9-33(10-18-45)39-25-40(34-11-19-46(56)20-12-34)28-43(27-39)53-49-7-3-4-8-50(49)54(52-32-38-6-2-1-5-37(38)31-51(52)53)44-29-41(35-13-21-47(57)22-14-35)26-42(30-44)36-15-23-48(58)24-16-36;1-3-15-33(16-4-1)43-27-35-19-7-9-21-37(35)29-45(43)49-41-25-13-14-26-42(41)50(48-32-40-24-12-11-23-39(40)31-47(48)49)46-30-38-22-10-8-20-36(38)28-44(46)34-17-5-2-6-18-34;1-2-14-28-26-36-35(25-27(28)13-1)41(43-37-21-9-5-15-29(37)30-16-6-10-22-38(30)43)33-19-3-4-20-34(33)42(36)44-39-23-11-7-17-31(39)32-18-8-12-24-40(32)44/h1-32H;1-32H;1-26H.
What are the key properties of 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole?
5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole has a molecular weight of 1948.33 g/mol, XLogP of 41.17, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[3,5-bis(4-fluorophenyl)phenyl]tetracene;5,12-bis(3-phenylnaphthalen-2-yl)tetracene;9-(12-carbazol-9-yltetracen-5-yl)carbazole is sourced from PubChem (CID 158479686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).