N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine

C49H33NO2 — CID 170535955

IUPACN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H33NO2/c1-49(2)39-18-10-8-16-35(39)36-23-22-34(29-40(36)49)50(33-14-4-3-5-15-33)41-25-24-38-47-44(27-26-43-46(47)37-17-9-11-19-42(37)51-43)52-48(38)45(41)32-21-20-30-12-6-7-13-31(30)28-32/h3-29H,1-2H3
InChIKeyXKLBAIVHOBKKAB-UHFFFAOYSA-N
MW667.81 g/mol
LogP14.08
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine

N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine (PubChem CID 170535955) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine
PubChem CID170535955
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H33NO2/c1-49(2)39-18-10-8-16-35(39)36-23-22-34(29-40(36)49)50(33-14-4-3-5-15-33)41-25-24-38-47-44(27-26-43-46(47)37-17-9-11-19-42(37)51-43)52-48(38)45(41)32-21-20-30-12-6-7-13-31(30)28-32/h3-29H,1-2H3
InChIKeyXKLBAIVHOBKKAB-UHFFFAOYSA-N
XLogP14.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-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-18-amine
CID 171433314
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
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-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252479
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161066288
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-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-4-yl)phenyl]fluoren-2-amine
CID 167121566

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine (CID 170535955) is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine?
The InChIKey is XKLBAIVHOBKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-49(2)39-18-10-8-16-35(39)36-23-22-34(29-40(36)49)50(33-14-4-3-5-15-33)41-25-24-38-47-44(27-26-43-46(47)37-17-9-11-19-42(37)51-43)52-48(38)45(41)32-21-20-30-12-6-7-13-31(30)28-32/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine?
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-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-6-amine has a molecular weight of 667.81 g/mol, XLogP of 14.08, 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)-7-naphthalen-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-6-amine is sourced from PubChem (CID 170535955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).