N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine

C55H39NO — CID 171757672

IUPACN-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(c(-c5ccccc5)cc5ccccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-24-14-13-22-45(50)46-31-29-41(34-51(46)55)56(40-27-25-37(26-28-40)36-15-5-3-6-16-36)42-30-32-47-44-21-11-12-23-48(44)53-49(38-17-7-4-8-18-38)33-39-19-9-10-20-43(39)54(53)57-52(47)35-42/h3-35H,1-2H3
InChIKeyKYILXUHJKQMRPM-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.39
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine

N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine (PubChem CID 171757672) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine
PubChem CID171757672
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(c(-c5ccccc5)cc5ccccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-24-14-13-22-45(50)46-31-29-41(34-51(46)55)56(40-27-25-37(26-28-40)36-15-5-3-6-16-36)42-30-32-47-44-21-11-12-23-48(44)53-49(38-17-7-4-8-18-38)33-39-19-9-10-20-43(39)54(53)57-52(47)35-42/h3-35H,1-2H3
InChIKeyKYILXUHJKQMRPM-UHFFFAOYSA-N
XLogP15.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176598425
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
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-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597473

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine (CID 171757672) is N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(c(-c5ccccc5)cc5ccccc35)-c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine?
The InChIKey is KYILXUHJKQMRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-24-14-13-22-45(50)46-31-29-41(34-51(46)55)56(40-27-25-37(26-28-40)36-15-5-3-6-16-36)42-30-32-47-44-21-11-12-23-48(44)53-49(38-17-7-4-8-18-38)33-39-19-9-10-20-43(39)54(53)57-52(47)35-42/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine?
N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine has a molecular weight of 729.92 g/mol, XLogP of 15.39, 5 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)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine is sourced from PubChem (CID 171757672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).