N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine

C60H38N2O — CID 146508585

IUPACN-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6c7ccccc7c7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C60H38N2O/c1-3-14-39(15-4-1)44-29-34-50-51-35-32-46(38-58(51)63-57(50)37-44)61(54-25-13-19-41-16-7-8-20-47(41)54)45-30-26-40(27-31-45)43-28-33-49-48-21-9-10-22-52(48)60-59(42-17-5-2-6-18-42)53-23-11-12-24-55(53)62(60)56(49)36-43/h1-38H
InChIKeyCINHCAHYLMMQKF-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.92
Rot. Bonds6

About N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine

N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine (PubChem CID 146508585) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
PubChem CID146508585
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC NameN-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6c7ccccc7c7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C60H38N2O/c1-3-14-39(15-4-1)44-29-34-50-51-35-32-46(38-58(51)63-57(50)37-44)61(54-25-13-19-41-16-7-8-20-47(41)54)45-30-26-40(27-31-45)43-28-33-49-48-21-9-10-22-52(48)60-59(42-17-5-2-6-18-42)53-23-11-12-24-55(53)62(60)56(49)36-43/h1-38H
InChIKeyCINHCAHYLMMQKF-UHFFFAOYSA-N
XLogP16.92
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 118187034
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)aniline;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]dibenzofuran-3-amine;N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[3-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 162039513
N-[3-[3-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170281304
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 118963228
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-triphenylen-2-ylaniline
CID 118180041
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 118179965
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-3-amine
CID 118180067
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine (CID 146508585) is N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6c7ccccc7c7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is CINHCAHYLMMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-3-14-39(15-4-1)44-29-34-50-51-35-32-46(38-58(51)63-57(50)37-44)61(54-25-13-19-41-16-7-8-20-47(41)54)45-30-26-40(27-31-45)43-28-33-49-48-21-9-10-22-52(48)60-59(42-17-5-2-6-18-42)53-23-11-12-24-55(53)62(60)56(49)36-43/h1-38H.
What are the key properties of N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine?
N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 802.98 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 146508585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).