9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine

C61H40N2S — CID 146909198

IUPAC9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine

SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc(N6c7ccccc7C(c7ccccc7)(c7ccc8c(c7)sc7ccccc78)c7ccccc76)cc5)c4)ccc32)cc1

InChIInChI=1S/C61H40N2S/c1-3-18-45(19-4-1)61(46-33-36-51-50-23-8-14-29-59(50)64-60(51)40-46)53-24-9-12-27-57(53)63(58-28-13-10-25-54(58)61)48-34-30-41(31-35-48)42-16-15-17-43(38-42)44-32-37-56-52(39-44)49-22-7-11-26-55(49)62(56)47-20-5-2-6-21-47/h1-40H

InChIKeyAAYYULCSQOACDX-UHFFFAOYSA-N

MW833.07 g/mol

LogP16.65

Rot. Bonds6

About 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine

9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine (PubChem CID 146909198) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine.

Molecular Properties

Compound Name	9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
PubChem CID	146909198
Molecular Formula	C61H40N2S
Molecular Weight	833.07 g/mol
Exact Mass	832.29
IUPAC Name	9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
SMILES	c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc(N6c7ccccc7C(c7ccccc7)(c7ccc8c(c7)sc7ccccc78)c7ccccc76)cc5)c4)ccc32)cc1
InChI	InChI=1S/C61H40N2S/c1-3-18-45(19-4-1)61(46-33-36-51-50-23-8-14-29-59(50)64-60(51)40-46)53-24-9-12-27-57(53)63(58-28-13-10-25-54(58)61)48-34-30-41(31-35-48)42-16-15-17-43(38-42)44-32-37-56-52(39-44)49-22-7-11-26-55(49)62(56)47-20-5-2-6-21-47/h1-40H
InChIKey	AAYYULCSQOACDX-UHFFFAOYSA-N
XLogP	16.65
TPSA	8.17 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.07
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine?

The IUPAC name of 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine (CID 146909198) is 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine.

What is the SMILES notation for 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine?

The canonical SMILES for 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc(N6c7ccccc7C(c7ccccc7)(c7ccc8c(c7)sc7ccccc78)c7ccccc76)cc5)c4)ccc32)cc1.

What is the InChIKey of 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine?

The InChIKey is AAYYULCSQOACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-3-18-45(19-4-1)61(46-33-36-51-50-23-8-14-29-59(50)64-60(51)40-46)53-24-9-12-27-57(53)63(58-28-13-10-25-54(58)61)48-34-30-41(31-35-48)42-16-15-17-43(38-42)44-32-37-56-52(39-44)49-22-7-11-26-55(49)62(56)47-20-5-2-6-21-47/h1-40H.

What are the key properties of 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine?

9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine has a molecular weight of 833.07 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine is sourced from PubChem (CID 146909198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).