9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

C48H34N2O2S — CID 138657740

IUPAC9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4sc(-c5ccccc5)c5c4OCCO5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34N2O2S/c1-4-12-33(13-5-1)34-20-24-38(25-21-34)49(40-28-29-44-42(32-40)41-18-10-11-19-43(41)50(44)37-16-8-3-9-17-37)39-26-22-36(23-27-39)48-46-45(51-30-31-52-46)47(53-48)35-14-6-2-7-15-35/h1-29,32H,30-31H2
InChIKeyBUOAMPXNLNVQLX-UHFFFAOYSA-N
MW702.88 g/mol
LogP13.09
Rot. Bonds7

About 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 138657740) has the molecular formula C48H34N2O2S and a molecular weight of 702.88 g/mol. Its IUPAC name is 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID138657740
Molecular FormulaC48H34N2O2S
Molecular Weight702.88 g/mol
Exact Mass702.23
IUPAC Name9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4sc(-c5ccccc5)c5c4OCCO5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34N2O2S/c1-4-12-33(13-5-1)34-20-24-38(25-21-34)49(40-28-29-44-42(32-40)41-18-10-11-19-43(41)50(44)37-16-8-3-9-17-37)39-26-22-36(23-27-39)48-46-45(51-30-31-52-46)47(53-48)35-14-6-2-7-15-35/h1-29,32H,30-31H2
InChIKeyBUOAMPXNLNVQLX-UHFFFAOYSA-N
XLogP13.09
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 138657740) is 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4sc(-c5ccccc5)c5c4OCCO5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is BUOAMPXNLNVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O2S/c1-4-12-33(13-5-1)34-20-24-38(25-21-34)49(40-28-29-44-42(32-40)41-18-10-11-19-43(41)50(44)37-16-8-3-9-17-37)39-26-22-36(23-27-39)48-46-45(51-30-31-52-46)47(53-48)35-14-6-2-7-15-35/h1-29,32H,30-31H2.
What are the key properties of 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 702.88 g/mol, XLogP of 13.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 138657740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).