N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H42N2O — CID 122425440

IUPACN-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-3-12-43(13-4-1)45-22-26-47(27-23-45)49-30-36-53(37-31-49)61(54-38-32-50(33-39-54)48-28-24-46(25-29-48)44-14-5-2-6-15-44)55-40-34-51(35-41-55)52-16-11-17-56(42-52)62-57-18-7-9-20-59(57)63-60-21-10-8-19-58(60)62/h1-42H
InChIKeyINOUTESJJXVFMJ-UHFFFAOYSA-N
MW807.01 g/mol
LogP17.07
Rot. Bonds9

About N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 122425440) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID122425440
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC NameN-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-3-12-43(13-4-1)45-22-26-47(27-23-45)49-30-36-53(37-31-49)61(54-38-32-50(33-39-54)48-28-24-46(25-29-48)44-14-5-2-6-15-44)55-40-34-51(35-41-55)52-16-11-17-56(42-52)62-57-18-7-9-20-59(57)63-60-21-10-8-19-58(60)62/h1-42H
InChIKeyINOUTESJJXVFMJ-UHFFFAOYSA-N
XLogP17.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 90194649
N-[4-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
CID 121261574
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809
14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656714
4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 129062242
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 122425440) is N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is INOUTESJJXVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-3-12-43(13-4-1)45-22-26-47(27-23-45)49-30-36-53(37-31-49)61(54-38-32-50(33-39-54)48-28-24-46(25-29-48)44-14-5-2-6-15-44)55-40-34-51(35-41-55)52-16-11-17-56(42-52)62-57-18-7-9-20-59(57)63-60-21-10-8-19-58(60)62/h1-42H.
What are the key properties of N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 807.01 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 122425440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).