N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine

C49H35NO — CID 171757409

IUPACN-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3Oc3c-4ccc4ccccc34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-25-12-11-21-38(43)39-30-28-35(31-44(39)49)50(34-18-7-4-8-19-34)45-26-14-23-40-41-29-27-33-17-9-10-20-36(33)47(41)51-48-37(32-15-5-3-6-16-32)22-13-24-42(48)46(40)45/h3-31H,1-2H3
InChIKeyREZKQFUWRZINKB-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.72
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine (PubChem CID 171757409) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine
PubChem CID171757409
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3Oc3c-4ccc4ccccc34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-25-12-11-21-38(43)39-30-28-35(31-44(39)49)50(34-18-7-4-8-19-34)45-26-14-23-40-41-29-27-33-17-9-10-20-36(33)47(41)51-48-37(32-15-5-3-6-16-32)22-13-24-42(48)46(40)45/h3-31H,1-2H3
InChIKeyREZKQFUWRZINKB-UHFFFAOYSA-N
XLogP13.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine
CID 171757650
N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine
CID 176598282
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 176598489
9,9-dimethyl-N-phenyl-N-[4-[10-[4-(N-phenylanilino)naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]phenyl]fluoren-2-amine
CID 168855769
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine (CID 171757409) is N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccccc5)c3Oc3c-4ccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine?
The InChIKey is REZKQFUWRZINKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-25-12-11-21-38(43)39-30-28-35(31-44(39)49)50(34-18-7-4-8-19-34)45-26-14-23-40-41-29-27-33-17-9-10-20-36(33)47(41)51-48-37(32-15-5-3-6-16-32)22-13-24-42(48)46(40)45/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine has a molecular weight of 653.83 g/mol, XLogP of 13.72, 4 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)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine is sourced from PubChem (CID 171757409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).