N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine

C60H35NO — CID 155008946

IUPACN,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc5c(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccccc68)ccc6ccc3c4c65)ccc2c1
InChIInChI=1S/C60H35NO/c1-3-11-40-31-43(24-17-36(40)9-1)61(44-25-18-37-10-2-4-12-41(37)32-44)56-30-23-39-20-28-50-45(26-19-38-21-29-51(56)60(39)59(38)50)42-22-27-48-52(33-42)46-13-5-6-14-47(46)53-34-55-49-15-7-8-16-57(49)62-58(55)35-54(48)53/h1-35H
InChIKeyOLNIAHZSXJMCKE-UHFFFAOYSA-N
MW785.95 g/mol
LogP17.39
Rot. Bonds4

About N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine

N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine (PubChem CID 155008946) has the molecular formula C60H35NO and a molecular weight of 785.95 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
PubChem CID155008946
Molecular FormulaC60H35NO
Molecular Weight785.95 g/mol
Exact Mass785.27
IUPAC NameN,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc5c(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccccc68)ccc6ccc3c4c65)ccc2c1
InChIInChI=1S/C60H35NO/c1-3-11-40-31-43(24-17-36(40)9-1)61(44-25-18-37-10-2-4-12-41(37)32-44)56-30-23-39-20-28-50-45(26-19-38-21-29-51(56)60(39)59(38)50)42-22-27-48-52(33-42)46-13-5-6-14-47(46)53-34-55-49-15-7-8-16-57(49)62-58(55)35-54(48)53/h1-35H
InChIKeyOLNIAHZSXJMCKE-UHFFFAOYSA-N
XLogP17.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.95
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-6-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)phenyl]-N-phenylpyren-1-amine
CID 155008986
5-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyren-1-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 155008997
N-(4-methylphenyl)-N-naphthalen-2-yl-6-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaen-18-yl)pyren-1-amine
CID 155008988
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089
1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635
7,10-bis[3-(6-phenylpyren-1-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 170939838

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine (CID 155008946) is N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine is c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc5c(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccccc68)ccc6ccc3c4c65)ccc2c1.
What is the InChIKey of N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine?
The InChIKey is OLNIAHZSXJMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35NO/c1-3-11-40-31-43(24-17-36(40)9-1)61(44-25-18-37-10-2-4-12-41(37)32-44)56-30-23-39-20-28-50-45(26-19-38-21-29-51(56)60(39)59(38)50)42-22-27-48-52(33-42)46-13-5-6-14-47(46)53-34-55-49-15-7-8-16-57(49)62-58(55)35-54(48)53/h1-35H.
What are the key properties of N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine?
N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine has a molecular weight of 785.95 g/mol, XLogP of 17.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine is sourced from PubChem (CID 155008946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).