9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole

C58H39N3 — CID 139335220

IUPAC9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1
InChIInChI=1S/C58H39N3/c1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41/h1-29,31-32,34-37H,30,33H2
InChIKeyIMYAPJMJDBLDMN-UHFFFAOYSA-N
MW777.97 g/mol
LogP14.56
Rot. Bonds6

About 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole

9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole (PubChem CID 139335220) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
PubChem CID139335220
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1
InChIInChI=1S/C58H39N3/c1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41/h1-29,31-32,34-37H,30,33H2
InChIKeyIMYAPJMJDBLDMN-UHFFFAOYSA-N
XLogP14.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 159834519
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
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
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
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole (CID 139335220) is 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1.
What is the InChIKey of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The InChIKey is IMYAPJMJDBLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41/h1-29,31-32,34-37H,30,33H2.
What are the key properties of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole has a molecular weight of 777.97 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 139335220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).