N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine

C60H38N2O2S — CID 167389015

IUPACN-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccc(-c6ccncc6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H38N2O2S/c1-2-10-39(11-3-1)41-20-26-45(27-21-41)62(47-30-33-57-50(38-47)48-12-5-9-17-56(48)65-57)46-28-24-44(25-29-46)60(43-22-18-40(19-23-43)42-34-36-61-37-35-42)51-14-6-4-13-49(51)58-52(60)31-32-55-59(58)64-54-16-8-7-15-53(54)63-55/h1-38H
InChIKeyGXONEIDOSUWRQA-UHFFFAOYSA-N
MW851.04 g/mol
LogP16.51
Rot. Bonds7

About N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine

N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine (PubChem CID 167389015) has the molecular formula C60H38N2O2S and a molecular weight of 851.04 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
PubChem CID167389015
Molecular FormulaC60H38N2O2S
Molecular Weight851.04 g/mol
Exact Mass850.27
IUPAC NameN-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccc(-c6ccncc6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H38N2O2S/c1-2-10-39(11-3-1)41-20-26-45(27-21-41)62(47-30-33-57-50(38-47)48-12-5-9-17-56(48)65-57)46-28-24-44(25-29-46)60(43-22-18-40(19-23-43)42-34-36-61-37-35-42)51-14-6-4-13-49(51)58-52(60)31-32-55-59(58)64-54-16-8-7-15-53(54)63-55/h1-38H
InChIKeyGXONEIDOSUWRQA-UHFFFAOYSA-N
XLogP16.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.04
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
CID 163740360
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(4-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463343
N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
CID 169061390
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
CID 167389035
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 166565662

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine (CID 167389015) is N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccc(-c6ccncc6)cc5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine?
The InChIKey is GXONEIDOSUWRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2S/c1-2-10-39(11-3-1)41-20-26-45(27-21-41)62(47-30-33-57-50(38-47)48-12-5-9-17-56(48)65-57)46-28-24-44(25-29-46)60(43-22-18-40(19-23-43)42-34-36-61-37-35-42)51-14-6-4-13-49(51)58-52(60)31-32-55-59(58)64-54-16-8-7-15-53(54)63-55/h1-38H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine?
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine has a molecular weight of 851.04 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 167389015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).