3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine

C50H37N3 — CID 172504146

IUPAC3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(ccc4nc(-c5ccccc5)n(-c5ccccc5)c43)c21
InChIInChI=1S/C50H37N3/c1-50(2)45-33-40(52(37-19-11-5-12-20-37)39-25-23-35(24-26-39)34-15-7-3-8-16-34)27-28-41(45)42-29-30-44-43(47(42)50)31-32-46-48(44)53(38-21-13-6-14-22-38)49(51-46)36-17-9-4-10-18-36/h3-33H,1-2H3
InChIKeyVZSUGZWJPCLELN-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.29
Rot. Bonds6

About 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine

3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine (PubChem CID 172504146) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine
PubChem CID172504146
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(ccc4nc(-c5ccccc5)n(-c5ccccc5)c43)c21
InChIInChI=1S/C50H37N3/c1-50(2)45-33-40(52(37-19-11-5-12-20-37)39-25-23-35(24-26-39)34-15-7-3-8-16-34)27-28-41(45)42-29-30-44-43(47(42)50)31-32-46-48(44)53(38-21-13-6-14-22-38)49(51-46)36-17-9-4-10-18-36/h3-33H,1-2H3
InChIKeyVZSUGZWJPCLELN-UHFFFAOYSA-N
XLogP13.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine with MolForge

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Related Compounds

3-N-(3,3-dimethyl-15,16-diphenyl-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1,4,6,8,10,12,14(18),16,19-nonaen-11-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504344
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-N,N-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-7-amine
CID 118652958
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
9,9-dimethyl-N-phenyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 121286556
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine?
The IUPAC name of 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine (CID 172504146) is 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine.
What is the SMILES notation for 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine?
The canonical SMILES for 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(ccc4nc(-c5ccccc5)n(-c5ccccc5)c43)c21.
What is the InChIKey of 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine?
The InChIKey is VZSUGZWJPCLELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-50(2)45-33-40(52(37-19-11-5-12-20-37)39-25-23-35(24-26-39)34-15-7-3-8-16-34)27-28-41(45)42-29-30-44-43(47(42)50)31-32-46-48(44)53(38-21-13-6-14-22-38)49(51-46)36-17-9-4-10-18-36/h3-33H,1-2H3.
What are the key properties of 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine?
3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine has a molecular weight of 679.87 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine is sourced from PubChem (CID 172504146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).