N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C44H27NO2 — CID 122592278

IUPACN-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cccc7ccc4c5c76)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H27NO2/c1-2-8-28(9-3-1)29-16-21-32(22-17-29)45(38-13-7-12-37-35-11-4-5-14-39(35)47-44(37)38)33-23-18-30(19-24-33)34-26-27-41-43-36(34)25-20-31-10-6-15-40(46-41)42(31)43/h1-27H
InChIKeyBXGUJCPQVZOXMA-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.88
Rot. Bonds5

About N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 122592278) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID122592278
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cccc7ccc4c5c76)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H27NO2/c1-2-8-28(9-3-1)29-16-21-32(22-17-29)45(38-13-7-12-37-35-11-4-5-14-39(35)47-44(37)38)33-23-18-30(19-24-33)34-26-27-41-43-36(34)25-20-31-10-6-15-40(46-41)42(31)43/h1-27H
InChIKeyBXGUJCPQVZOXMA-UHFFFAOYSA-N
XLogP12.88
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 122599267
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 139435620
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-dibenzofuran-4-yl-N,1-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131148
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
4-N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 122599250
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(3-phenyl-4-pyren-1-ylphenyl)phenyl]aniline
CID 155121240
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436

Frequently Asked Questions

What is the IUPAC name of N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 122592278) is N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cccc7ccc4c5c76)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is BXGUJCPQVZOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-8-28(9-3-1)29-16-21-32(22-17-29)45(38-13-7-12-37-35-11-4-5-14-39(35)47-44(37)38)33-23-18-30(19-24-33)34-26-27-41-43-36(34)25-20-31-10-6-15-40(46-41)42(31)43/h1-27H.
What are the key properties of N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 601.71 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 122592278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).