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

C53H35NO2 — CID 170536433

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3c(-c4cccc5ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C53H35NO2/c1-53(2)43-22-9-7-19-38(43)39-26-25-34(31-44(39)53)54(45-23-12-16-33-14-4-6-18-36(33)45)51-40(37-21-11-15-32-13-3-5-17-35(32)37)27-28-42-50-48(56-52(42)51)30-29-47-49(50)41-20-8-10-24-46(41)55-47/h3-31H,1-2H3
InChIKeyACCIQMBCGWNCMN-UHFFFAOYSA-N
MW717.87 g/mol
LogP15.23
Rot. Bonds4

About 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

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 (PubChem CID 170536433) has the molecular formula C53H35NO2 and a molecular weight of 717.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170536433
Molecular FormulaC53H35NO2
Molecular Weight717.87 g/mol
Exact Mass717.27
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3c(-c4cccc5ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C53H35NO2/c1-53(2)43-22-9-7-19-38(43)39-26-25-34(31-44(39)53)54(45-23-12-16-33-14-4-6-18-36(33)45)51-40(37-21-11-15-32-13-3-5-17-35(32)37)27-28-42-50-48(56-52(42)51)30-29-47-49(50)41-20-8-10-24-46(41)55-47/h3-31H,1-2H3
InChIKeyACCIQMBCGWNCMN-UHFFFAOYSA-N
XLogP15.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-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 170535984
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
6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-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 170535825
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
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-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-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-6-yl)phenyl]fluoren-2-amine
CID 167121573
9,9-dimethyl-N-[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-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3c(-c4cccc5ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21.
What is the InChIKey of 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?
The InChIKey is ACCIQMBCGWNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2/c1-53(2)43-22-9-7-19-38(43)39-26-25-34(31-44(39)53)54(45-23-12-16-33-14-4-6-18-36(33)45)51-40(37-21-11-15-32-13-3-5-17-35(32)37)27-28-42-50-48(56-52(42)51)30-29-47-49(50)41-20-8-10-24-46(41)55-47/h3-31H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 717.87 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170536433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).