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

C62H37NO — CID 155008986

IUPACN-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(-c5ccc(-c6ccc7c(c6)c6ccccc6c6c7ccc7oc8ccccc8c76)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C62H37NO/c1-2-12-45(13-3-1)63(46-28-22-38-10-4-5-11-43(38)36-46)56-34-27-42-24-31-51-47(29-23-41-25-32-53(56)60(42)59(41)51)40-20-18-39(19-21-40)44-26-30-49-52-33-35-58-62(54-16-8-9-17-57(54)64-58)61(52)50-15-7-6-14-48(50)55(49)37-44/h1-37H
InChIKeyZZBGQINFROKHAP-UHFFFAOYSA-N
MW811.98 g/mol
LogP17.90
Rot. Bonds5

About 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

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 (PubChem CID 155008986) has the molecular formula C62H37NO and a molecular weight of 811.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID155008986
Molecular FormulaC62H37NO
Molecular Weight811.98 g/mol
Exact Mass811.29
IUPAC NameN-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(-c5ccc(-c6ccc7c(c6)c6ccccc6c6c7ccc7oc8ccccc8c76)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C62H37NO/c1-2-12-45(13-3-1)63(46-28-22-38-10-4-5-11-43(38)36-46)56-34-27-42-24-31-51-47(29-23-41-25-32-53(56)60(42)59(41)51)40-20-18-39(19-21-40)44-26-30-49-52-33-35-58-62(54-16-8-9-17-57(54)64-58)61(52)50-15-7-6-14-48(50)55(49)37-44/h1-37H
InChIKeyZZBGQINFROKHAP-UHFFFAOYSA-N
XLogP17.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.98
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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,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
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-[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-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167121502
N-[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-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
1-(2,4-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281004
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-[3-(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-4-yl)phenyl]-N,2-diphenylaniline
CID 167121314
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
2-(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-4-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167121663
4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine
CID 174257337

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(-c5ccc(-c6ccc7c(c6)c6ccccc6c6c7ccc7oc8ccccc8c76)cc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is ZZBGQINFROKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO/c1-2-12-45(13-3-1)63(46-28-22-38-10-4-5-11-43(38)36-46)56-34-27-42-24-31-51-47(29-23-41-25-32-53(56)60(42)59(41)51)40-20-18-39(19-21-40)44-26-30-49-52-33-35-58-62(54-16-8-9-17-57(54)64-58)61(52)50-15-7-6-14-48(50)55(49)37-44/h1-37H.
What are the key properties of 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?
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 has a molecular weight of 811.98 g/mol, XLogP of 17.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).