17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene

C42H29NO — CID 145258740

IUPAC17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene
SMILESC1=C2C(=C3C(C1)c1ccccc1N3c1ccc(-c3cccc(-c4ccccc4)c3)cc1)Oc1ccccc1-c1ccccc12
InChIInChI=1S/C42H29NO/c1-2-11-28(12-3-1)30-13-10-14-31(27-30)29-21-23-32(24-22-29)43-39-19-8-6-17-35(39)37-25-26-38-34-16-5-4-15-33(34)36-18-7-9-20-40(36)44-42(38)41(37)43/h1-24,26-27,37H,25H2
InChIKeyBKVPGBVKYXXMGJ-UHFFFAOYSA-N
MW563.70 g/mol
LogP11.01
Rot. Bonds3

About 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene

17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene (PubChem CID 145258740) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene.

Molecular Properties

Compound Name17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene
PubChem CID145258740
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene
SMILESC1=C2C(=C3C(C1)c1ccccc1N3c1ccc(-c3cccc(-c4ccccc4)c3)cc1)Oc1ccccc1-c1ccccc12
InChIInChI=1S/C42H29NO/c1-2-11-28(12-3-1)30-13-10-14-31(27-30)29-21-23-32(24-22-29)43-39-19-8-6-17-35(39)37-25-26-38-34-16-5-4-15-33(34)36-18-7-9-20-40(36)44-42(38)41(37)43/h1-24,26-27,37H,25H2
InChIKeyBKVPGBVKYXXMGJ-UHFFFAOYSA-N
XLogP11.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene with MolForge

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Related Compounds

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9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
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10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 159696695
N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline
CID 129062206
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
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11-(4-phenylphenyl)-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-nonaene;11-[4-(2-phenylphenyl)phenyl]-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-nonaene;11-[4-(3-phenylphenyl)phenyl]-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-nonaene
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5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
14-phenyl-4-(6-triphenylen-2-ylnaphthalen-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-[3-(4-triphenylen-2-ylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 161349257
3,12-diphenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaene
CID 118860586
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
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

Frequently Asked Questions

What is the IUPAC name of 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene?
The IUPAC name of 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene (CID 145258740) is 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene.
What is the SMILES notation for 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene?
The canonical SMILES for 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene is C1=C2C(=C3C(C1)c1ccccc1N3c1ccc(-c3cccc(-c4ccccc4)c3)cc1)Oc1ccccc1-c1ccccc12.
What is the InChIKey of 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene?
The InChIKey is BKVPGBVKYXXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-2-11-28(12-3-1)30-13-10-14-31(27-30)29-21-23-32(24-22-29)43-39-19-8-6-17-35(39)37-25-26-38-34-16-5-4-15-33(34)36-18-7-9-20-40(36)44-42(38)41(37)43/h1-24,26-27,37H,25H2.
What are the key properties of 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene?
17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene has a molecular weight of 563.70 g/mol, XLogP of 11.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(3-phenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(26),2,4,6,8,10,12,15,18,20,22-undecaene is sourced from PubChem (CID 145258740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).