N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

C71H51NO — CID 121260565

IUPACN-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7ccccc67)cc5oc43)c3cccc4ccccc34)cc21
InChIInChI=1S/C71H51NO/c1-70(2)61-28-13-11-24-52(61)54-35-31-46(40-63(54)70)67(56-27-15-19-43-17-5-7-21-49(43)56)45-32-36-58-60(39-45)51-23-9-10-26-57(51)68-59-38-34-48(42-66(59)73-69(58)68)72(65-30-16-20-44-18-6-8-22-50(44)65)47-33-37-55-53-25-12-14-29-62(53)71(3,4)64(55)41-47/h5-42,67H,1-4H3
InChIKeyQFSLPHYWVKPYFE-UHFFFAOYSA-N
MW934.20 g/mol
LogP19.46
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 121260565) has the molecular formula C71H51NO and a molecular weight of 934.20 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
PubChem CID121260565
Molecular FormulaC71H51NO
Molecular Weight934.20 g/mol
Exact Mass933.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7ccccc67)cc5oc43)c3cccc4ccccc34)cc21
InChIInChI=1S/C71H51NO/c1-70(2)61-28-13-11-24-52(61)54-35-31-46(40-63(54)70)67(56-27-15-19-43-17-5-7-21-49(43)56)45-32-36-58-60(39-45)51-23-9-10-26-57(51)68-59-38-34-48(42-66(59)73-69(58)68)72(65-30-16-20-44-18-6-8-22-50(44)65)47-33-37-55-53-25-12-14-29-62(53)71(3,4)64(55)41-47/h5-42,67H,1-4H3
InChIKeyQFSLPHYWVKPYFE-UHFFFAOYSA-N
XLogP19.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.20
LogP ≤ 519.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-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-amine
CID 167121292
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N,N-bis(9,9-dimethylfluoren-2-yl)-17-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433437
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N-(9,9-dimethylfluoren-2-yl)-N,6-dinaphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536433
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (CID 121260565) is N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7ccccc67)cc5oc43)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The InChIKey is QFSLPHYWVKPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51NO/c1-70(2)61-28-13-11-24-52(61)54-35-31-46(40-63(54)70)67(56-27-15-19-43-17-5-7-21-49(43)56)45-32-36-58-60(39-45)51-23-9-10-26-57(51)68-59-38-34-48(42-66(59)73-69(58)68)72(65-30-16-20-44-18-6-8-22-50(44)65)47-33-37-55-53-25-12-14-29-62(53)71(3,4)64(55)41-47/h5-42,67H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 934.20 g/mol, XLogP of 19.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-5-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylmethyl]-N-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 121260565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).