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

C59H39N3O2 — CID 121261574

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cc7c8c(c6)Oc6ccccc6N8c6ccccc6O7)c5)cc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C59H39N3O2/c1-3-12-40(13-4-1)42-26-30-49(31-27-42)61(51-34-35-52(60-39-51)45-14-5-2-6-15-45)50-32-28-43(29-33-50)41-22-24-44(25-23-41)46-16-11-17-47(36-46)48-37-57-59-58(38-48)64-56-21-10-8-19-54(56)62(59)53-18-7-9-20-55(53)63-57/h1-39H
InChIKeyMHJRZHPVKGHOIG-UHFFFAOYSA-N
MW821.98 g/mol
LogP16.57
Rot. Bonds8

About 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

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 (PubChem CID 121261574) has the molecular formula C59H39N3O2 and a molecular weight of 821.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID121261574
Molecular FormulaC59H39N3O2
Molecular Weight821.98 g/mol
Exact Mass821.30
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cc7c8c(c6)Oc6ccccc6N8c6ccccc6O7)c5)cc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C59H39N3O2/c1-3-12-40(13-4-1)42-26-30-49(31-27-42)61(51-34-35-52(60-39-51)45-14-5-2-6-15-45)50-32-28-43(29-33-50)41-22-24-44(25-23-41)46-16-11-17-47(36-46)48-37-57-59-58(38-48)64-56-21-10-8-19-54(56)62(59)53-18-7-9-20-55(53)63-57/h1-39H
InChIKeyMHJRZHPVKGHOIG-UHFFFAOYSA-N
XLogP16.57
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.98
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
5-[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)-5-phenylphenyl]-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-nonaene
CID 134552129
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
CID 162167397
11-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
CID 140893612
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
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
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
18-[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)-5-phenylphenyl]phenyl]-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-nonaene
CID 67951184
N-[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-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cc7c8c(c6)Oc6ccccc6N8c6ccccc6O7)c5)cc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MHJRZHPVKGHOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O2/c1-3-12-40(13-4-1)42-26-30-49(31-27-42)61(51-34-35-52(60-39-51)45-14-5-2-6-15-45)50-32-28-43(29-33-50)41-22-24-44(25-23-41)46-16-11-17-47(36-46)48-37-57-59-58(38-48)64-56-21-10-8-19-54(56)62(59)53-18-7-9-20-55(53)63-57/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 821.98 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121261574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).