10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine

C67H48N2O — CID 168855693

IUPAC10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6cccc7c6c5Oc5c-7cccc5N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21
InChIInChI=1S/C67H48N2O/c1-67(2)61-26-13-12-23-57(61)60-44-55(41-43-62(60)67)68(53-37-32-47(33-38-53)45-16-6-3-7-17-45)54-39-34-48(35-40-54)46-28-30-49(31-29-46)56-42-36-50-18-14-24-58-59-25-15-27-63(65(59)70-66(56)64(50)58)69(51-19-8-4-9-20-51)52-21-10-5-11-22-52/h3-44H,1-2H3
InChIKeyVKDPDUMGIRYPJT-UHFFFAOYSA-N
MW897.13 g/mol
LogP18.86
Rot. Bonds9

About 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine

10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine (PubChem CID 168855693) has the molecular formula C67H48N2O and a molecular weight of 897.13 g/mol. Its IUPAC name is 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine.

Molecular Properties

Compound Name10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine
PubChem CID168855693
Molecular FormulaC67H48N2O
Molecular Weight897.13 g/mol
Exact Mass896.38
IUPAC Name10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6cccc7c6c5Oc5c-7cccc5N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21
InChIInChI=1S/C67H48N2O/c1-67(2)61-26-13-12-23-57(61)60-44-55(41-43-62(60)67)68(53-37-32-47(33-38-53)45-16-6-3-7-17-45)54-39-34-48(35-40-54)46-28-30-49(31-29-46)56-42-36-50-18-14-24-58-59-25-15-27-63(65(59)70-66(56)64(50)58)69(51-19-8-4-9-20-51)52-21-10-5-11-22-52/h3-44H,1-2H3
InChIKeyVKDPDUMGIRYPJT-UHFFFAOYSA-N
XLogP18.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.13
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine with MolForge

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Related Compounds

6-N-(9,9-dimethylfluoren-2-yl)-6-N-phenyl-10-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 168855982
4-N-(9,9-dimethylfluoren-2-yl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855904
10-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855779
12-N-(9,9-dimethylfluoren-3-yl)-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855502
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
10-N-(9,9-dimethylfluoren-4-yl)-5-N,5-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855650
10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 170058716
10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168856006
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
10-N-(9,9-diphenylfluoren-3-yl)-4-N,4-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900802
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine?
The IUPAC name of 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine (CID 168855693) is 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine.
What is the SMILES notation for 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine?
The canonical SMILES for 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6cccc7c6c5Oc5c-7cccc5N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21.
What is the InChIKey of 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine?
The InChIKey is VKDPDUMGIRYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2O/c1-67(2)61-26-13-12-23-57(61)60-44-55(41-43-62(60)67)68(53-37-32-47(33-38-53)45-16-6-3-7-17-45)54-39-34-48(35-40-54)46-28-30-49(31-29-46)56-42-36-50-18-14-24-58-59-25-15-27-63(65(59)70-66(56)64(50)58)69(51-19-8-4-9-20-51)52-21-10-5-11-22-52/h3-44H,1-2H3.
What are the key properties of 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine?
10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine has a molecular weight of 897.13 g/mol, XLogP of 18.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine is sourced from PubChem (CID 168855693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).