N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine

C40H29NO — CID 122629573

IUPACN,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine
SMILESCc1ccccc1N(c1ccccc1C)c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34
InChIInChI=1S/C40H29NO/c1-26-12-6-8-20-34(26)41(35-21-9-7-13-27(35)2)36-23-25-38-40-32(18-11-19-33(36)40)31-17-10-16-30-29(28-14-4-3-5-15-28)22-24-37(42-38)39(30)31/h3-25H,1-2H3
InChIKeyRBJBGGIBWLXPNU-UHFFFAOYSA-N
MW539.68 g/mol
LogP11.65
Rot. Bonds4

About N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine

N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine (PubChem CID 122629573) has the molecular formula C40H29NO and a molecular weight of 539.68 g/mol. Its IUPAC name is N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine.

Molecular Properties

Compound NameN,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine
PubChem CID122629573
Molecular FormulaC40H29NO
Molecular Weight539.68 g/mol
Exact Mass539.22
IUPAC NameN,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine
SMILESCc1ccccc1N(c1ccccc1C)c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34
InChIInChI=1S/C40H29NO/c1-26-12-6-8-20-34(26)41(35-21-9-7-13-27(35)2)36-23-25-38-40-32(18-11-19-33(36)40)31-17-10-16-30-29(28-14-4-3-5-15-28)22-24-37(42-38)39(30)31/h3-25H,1-2H3
InChIKeyRBJBGGIBWLXPNU-UHFFFAOYSA-N
XLogP11.65
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine with MolForge

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Related Compounds

7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554
5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-methyl-N,N-bis(2-methylphenyl)aniline
CID 144604884
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methylnaphthalen-1-yl)-3,8-diphenylpyrene-1,6-diamine
CID 159400062
5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387463
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170032999
7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629588
1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144583526
8-N,23-N-bis(2,4-diphenylphenyl)-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362769
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 159471492
6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262506
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
CID 147672921
N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164744427

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine?
The IUPAC name of N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine (CID 122629573) is N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine.
What is the SMILES notation for N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine?
The canonical SMILES for N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine is Cc1ccccc1N(c1ccccc1C)c1ccc2oc3ccc(-c4ccccc4)c4cccc(c5cccc1c25)c34.
What is the InChIKey of N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine?
The InChIKey is RBJBGGIBWLXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NO/c1-26-12-6-8-20-34(26)41(35-21-9-7-13-27(35)2)36-23-25-38-40-32(18-11-19-33(36)40)31-17-10-16-30-29(28-14-4-3-5-15-28)22-24-37(42-38)39(30)31/h3-25H,1-2H3.
What are the key properties of N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine?
N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine has a molecular weight of 539.68 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylphenyl)-15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-amine is sourced from PubChem (CID 122629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).