8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine

C42H31NO2S — CID 139335363

IUPAC8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc3cc4c(cc3c2)Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C4)cc1
InChIInChI=1S/C42H31NO2S/c44-46(45,41-14-8-3-9-15-41)42-22-19-30(20-23-42)31-16-17-32-25-36-28-37-29-40(21-18-33(37)26-35(36)27-34(32)24-31)43(38-10-4-1-5-11-38)39-12-6-2-7-13-39/h1-25,27,29H,26,28H2
InChIKeyDHHWBWMCYPWYTA-UHFFFAOYSA-N
MW613.78 g/mol
LogP10.30
Rot. Bonds6

About 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine

8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine (PubChem CID 139335363) has the molecular formula C42H31NO2S and a molecular weight of 613.78 g/mol. Its IUPAC name is 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine.

Molecular Properties

Compound Name8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine
PubChem CID139335363
Molecular FormulaC42H31NO2S
Molecular Weight613.78 g/mol
Exact Mass613.21
IUPAC Name8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc3cc4c(cc3c2)Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C4)cc1
InChIInChI=1S/C42H31NO2S/c44-46(45,41-14-8-3-9-15-41)42-22-19-30(20-23-42)31-16-17-32-25-36-28-37-29-40(21-18-33(37)26-35(36)27-34(32)24-31)43(38-10-4-1-5-11-38)39-12-6-2-7-13-39/h1-25,27,29H,26,28H2
InChIKeyDHHWBWMCYPWYTA-UHFFFAOYSA-N
XLogP10.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.78
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-5,12-dihydrotetracen-2-amine
CID 139335301
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
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-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
4-[bis[4-[4-(benzenesulfonyl)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 122429621
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935

Frequently Asked Questions

What is the IUPAC name of 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The IUPAC name of 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine (CID 139335363) is 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine.
What is the SMILES notation for 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The canonical SMILES for 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine is O=S(=O)(c1ccccc1)c1ccc(-c2ccc3cc4c(cc3c2)Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C4)cc1.
What is the InChIKey of 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
The InChIKey is DHHWBWMCYPWYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO2S/c44-46(45,41-14-8-3-9-15-41)42-22-19-30(20-23-42)31-16-17-32-25-36-28-37-29-40(21-18-33(37)26-35(36)27-34(32)24-31)43(38-10-4-1-5-11-38)39-12-6-2-7-13-39/h1-25,27,29H,26,28H2.
What are the key properties of 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine?
8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine has a molecular weight of 613.78 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(benzenesulfonyl)phenyl]-N,N-diphenyl-5,12-dihydrotetracen-2-amine is sourced from PubChem (CID 139335363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).