N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

C51H31N — CID 156664662

IUPACN-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H31N/c1-3-13-34-29-36(24-23-32(34)11-1)39-15-6-8-22-48(39)52(37-26-25-33-12-2-4-14-35(33)30-37)38-27-28-41-43-18-10-20-45-44-19-9-17-42-40-16-5-7-21-46(40)51(49(42)44,50(43)45)47(41)31-38/h1-31H
InChIKeyPERQBLZQXDUKMF-UHFFFAOYSA-N
MW657.82 g/mol
LogP13.45
Rot. Bonds4

About N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (PubChem CID 156664662) has the molecular formula C51H31N and a molecular weight of 657.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
PubChem CID156664662
Molecular FormulaC51H31N
Molecular Weight657.82 g/mol
Exact Mass657.25
IUPAC NameN-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H31N/c1-3-13-34-29-36(24-23-32(34)11-1)39-15-6-8-22-48(39)52(37-26-25-33-12-2-4-14-35(33)30-37)38-27-28-41-43-18-10-20-45-44-19-9-17-42-40-16-5-7-21-46(40)51(49(42)44,50(43)45)47(41)31-38/h1-31H
InChIKeyPERQBLZQXDUKMF-UHFFFAOYSA-N
XLogP13.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine with MolForge

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Related Compounds

N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N,N-bis(2-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664728
N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664798
N-(3-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115830
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-4-amine
CID 170140136
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
CID 137493832
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 159143732
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (CID 156664662) is N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The InChIKey is PERQBLZQXDUKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N/c1-3-13-34-29-36(24-23-32(34)11-1)39-15-6-8-22-48(39)52(37-26-25-33-12-2-4-14-35(33)30-37)38-27-28-41-43-18-10-20-45-44-19-9-17-42-40-16-5-7-21-46(40)51(49(42)44,50(43)45)47(41)31-38/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine has a molecular weight of 657.82 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is sourced from PubChem (CID 156664662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).