N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C51H37NO — CID 176597633

IUPACN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3-c3cccc(-c5ccccc5)c3O4)cc21
InChIInChI=1S/C51H37NO/c1-51(2)47-26-12-11-23-43(47)44-29-27-39(33-48(44)51)52(37-20-13-19-36(31-37)34-15-5-3-6-16-34)38-28-30-49-46(32-38)42-22-10-9-21-41(42)45-25-14-24-40(50(45)53-49)35-17-7-4-8-18-35/h3-33H,1-2H3
InChIKeyYWBIMUHAKWWJIM-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.24
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 176597633) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
PubChem CID176597633
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3-c3cccc(-c5ccccc5)c3O4)cc21
InChIInChI=1S/C51H37NO/c1-51(2)47-26-12-11-23-43(47)44-29-27-39(33-48(44)51)52(37-20-13-19-36(31-37)34-15-5-3-6-16-34)38-28-30-49-46(32-38)42-22-10-9-21-41(42)45-25-14-24-40(50(45)53-49)35-17-7-4-8-18-35/h3-33H,1-2H3
InChIKeyYWBIMUHAKWWJIM-UHFFFAOYSA-N
XLogP14.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-amine
CID 176597963
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
CID 176597824
9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
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
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597895
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
N,N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597873
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(3-phenylphenyl)-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 176597519
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-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-5-amine
CID 171757658
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
CID 176598088

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 176597633) is N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3-c3cccc(-c5ccccc5)c3O4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The InChIKey is YWBIMUHAKWWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)47-26-12-11-23-43(47)44-29-27-39(33-48(44)51)52(37-20-13-19-36(31-37)34-15-5-3-6-16-34)38-28-30-49-46(32-38)42-22-10-9-21-41(42)45-25-14-24-40(50(45)53-49)35-17-7-4-8-18-35/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 679.86 g/mol, XLogP of 14.24, 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)-16-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 176597633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).