N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine

C43H26N2O2 — CID 129123934

IUPACN-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C43H26N2O2/c1-2-10-28(11-3-1)45(30-22-23-33-31-12-5-8-16-38(31)46-40(33)26-30)29-20-18-27(19-21-29)42-36-25-24-34-32-13-6-9-17-39(32)47-43(34)41(36)35-14-4-7-15-37(35)44-42/h1-26H
InChIKeyBNYDVYVOBTUBGR-UHFFFAOYSA-N
MW602.69 g/mol
LogP12.32
Rot. Bonds4

About N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine

N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 129123934) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID129123934
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC NameN-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C43H26N2O2/c1-2-10-28(11-3-1)45(30-22-23-33-31-12-5-8-16-38(31)46-40(33)26-30)29-20-18-27(19-21-29)42-36-25-24-34-32-13-6-9-17-39(32)47-43(34)41(36)35-14-4-7-15-37(35)44-42/h1-26H
InChIKeyBNYDVYVOBTUBGR-UHFFFAOYSA-N
XLogP12.32
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129123886
14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123553
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
3-N-dibenzofuran-3-yl-5-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134471561
N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 161465299
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
CID 129123918
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
14-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123550
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
CID 148684754
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N,N-bis(4-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465201

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 129123934) is N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(N(c2ccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is BNYDVYVOBTUBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c1-2-10-28(11-3-1)45(30-22-23-33-31-12-5-8-16-38(31)46-40(33)26-30)29-20-18-27(19-21-29)42-36-25-24-34-32-13-6-9-17-39(32)47-43(34)41(36)35-14-4-7-15-37(35)44-42/h1-26H.
What are the key properties of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 602.69 g/mol, XLogP of 12.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 129123934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).