8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine

C45H32N4 — CID 139335301

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)Cc3ccc(N(c4ccccc4)c4ccccc4)cc3C5)n2)cc1
InChIInChI=1S/C45H32N4/c1-5-13-31(14-6-1)43-46-44(32-15-7-2-8-16-32)48-45(47-43)35-22-21-33-25-38-29-39-30-42(24-23-34(39)26-37(38)28-36(33)27-35)49(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-25,27-28,30H,26,29H2
InChIKeyHJGFAHLRQQXZAQ-UHFFFAOYSA-N
MW628.78 g/mol
LogP10.99
Rot. Bonds6

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine (PubChem CID 139335301) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine
PubChem CID139335301
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)Cc3ccc(N(c4ccccc4)c4ccccc4)cc3C5)n2)cc1
InChIInChI=1S/C45H32N4/c1-5-13-31(14-6-1)43-46-44(32-15-7-2-8-16-32)48-45(47-43)35-22-21-33-25-38-29-39-30-42(24-23-34(39)26-37(38)28-36(33)27-35)49(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-25,27-28,30H,26,29H2
InChIKeyHJGFAHLRQQXZAQ-UHFFFAOYSA-N
XLogP10.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine
CID 139335363
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine (CID 139335301) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)Cc3ccc(N(c4ccccc4)c4ccccc4)cc3C5)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The InChIKey is HJGFAHLRQQXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-5-13-31(14-6-1)43-46-44(32-15-7-2-8-16-32)48-45(47-43)35-22-21-33-25-38-29-39-30-42(24-23-34(39)26-37(38)28-36(33)27-35)49(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-25,27-28,30H,26,29H2.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine has a molecular weight of 628.78 g/mol, XLogP of 10.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine is sourced from PubChem (CID 139335301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).