N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine

C60H48N2 — CID 70886147

IUPACN-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)C2=CC(c3ccc4ccccc4c3)CC3=C2N(c2ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C60H48N2/c1-59(2)50-23-11-12-24-56(50)62-57-34-31-45(36-51(57)60(3,4)53-38-46(37-52(59)58(53)62)44-28-27-39-15-5-6-18-43(39)35-44)40-29-32-47(33-30-40)61(54-25-13-19-41-16-7-9-21-48(41)54)55-26-14-20-42-17-8-10-22-49(42)55/h5-36,38,46H,37H2,1-4H3
InChIKeyYCKFOCPYHCOTLJ-UHFFFAOYSA-N
MW797.06 g/mol
LogP16.37
Rot. Bonds5

About N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine

N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine (PubChem CID 70886147) has the molecular formula C60H48N2 and a molecular weight of 797.06 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine
PubChem CID70886147
Molecular FormulaC60H48N2
Molecular Weight797.06 g/mol
Exact Mass796.38
IUPAC NameN-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)C2=CC(c3ccc4ccccc4c3)CC3=C2N(c2ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C60H48N2/c1-59(2)50-23-11-12-24-56(50)62-57-34-31-45(36-51(57)60(3,4)53-38-46(37-52(59)58(53)62)44-28-27-39-15-5-6-18-43(39)35-44)40-29-32-47(33-30-40)61(54-25-13-19-41-16-7-9-21-48(41)54)55-26-14-20-42-17-8-10-22-49(42)55/h5-36,38,46H,37H2,1-4H3
InChIKeyYCKFOCPYHCOTLJ-UHFFFAOYSA-N
XLogP16.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.06
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

8,8,14,14-tetramethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892813
8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70893017
N-[4-[4-(N-(9,9-dimethyl-7,10-diphenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N,7,10-triphenylacridin-2-amine;N-[4-[4-(N-[9,9-dimethyl-10-(4-methylphenyl)-7-phenylacridin-2-yl]anilino)phenyl]phenyl]-9,9-dimethyl-10-(4-methylphenyl)-N,7-diphenylacridin-2-amine;N-[4-[4-(N-(9,9-dimethyl-10-naphthalen-1-yl-7-phenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-10-naphthalen-1-yl-N,7-diphenylacridin-2-amine;N-[4-[4-[(9,9-dimethyl-10-phenylacridin-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-phenylacridin-2-amine;N-[4-[4-[[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-(4-phenylphenyl)acridin-2-amine
CID 159235712
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-5-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine
CID 90201402
N-naphthalen-2-yl-N-phenyl-5-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-amine
CID 70893250
N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 90201309
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170656581
14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
N-(4-phenylphenyl)-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)phenyl]naphthalen-1-amine
CID 170656499
8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
CID 70885473
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine (CID 70886147) is N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine is CC1(C)C2=CC(c3ccc4ccccc4c3)CC3=C2N(c2ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc21)c1ccccc1C3(C)C.
What is the InChIKey of N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine?
The InChIKey is YCKFOCPYHCOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2/c1-59(2)50-23-11-12-24-56(50)62-57-34-31-45(36-51(57)60(3,4)53-38-46(37-52(59)58(53)62)44-28-27-39-15-5-6-18-43(39)35-44)40-29-32-47(33-30-40)61(54-25-13-19-41-16-7-9-21-48(41)54)55-26-14-20-42-17-8-10-22-49(42)55/h5-36,38,46H,37H2,1-4H3.
What are the key properties of N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine?
N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine has a molecular weight of 797.06 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-(8,8,14,14-tetramethyl-11-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,13(21),15,17,19-octaen-5-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 70886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).