N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline

C60H41N3O2 — CID 122425451

IUPACN,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41N3O2/c1-2-14-42(15-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)46-16-12-18-51(40-46)62-53-20-4-8-24-57(53)64-58-25-9-5-21-54(58)62)50-38-32-45(33-39-50)47-17-13-19-52(41-47)63-55-22-6-10-26-59(55)65-60-27-11-7-23-56(60)63/h1-41H
InChIKeyJMEDPCANIRDADC-UHFFFAOYSA-N
MW836.01 g/mol
LogP17.31
Rot. Bonds8

About N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline

N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 122425451) has the molecular formula C60H41N3O2 and a molecular weight of 836.01 g/mol. Its IUPAC name is N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
PubChem CID122425451
Molecular FormulaC60H41N3O2
Molecular Weight836.01 g/mol
Exact Mass835.32
IUPAC NameN,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41N3O2/c1-2-14-42(15-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)46-16-12-18-51(40-46)62-53-20-4-8-24-57(53)64-58-25-9-5-21-54(58)62)50-38-32-45(33-39-50)47-17-13-19-52(41-47)63-55-22-6-10-26-59(55)65-60-27-11-7-23-56(60)63/h1-41H
InChIKeyJMEDPCANIRDADC-UHFFFAOYSA-N
XLogP17.31
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.01
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
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,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline (CID 122425451) is N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)c3ccc(-c4cccc(N5c6ccccc6Oc6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is JMEDPCANIRDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O2/c1-2-14-42(15-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)46-16-12-18-51(40-46)62-53-20-4-8-24-57(53)64-58-25-9-5-21-54(58)62)50-38-32-45(33-39-50)47-17-13-19-52(41-47)63-55-22-6-10-26-59(55)65-60-27-11-7-23-56(60)63/h1-41H.
What are the key properties of N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline?
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 836.01 g/mol, XLogP of 17.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 122425451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).