N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine

C42H25N — CID 23534519

IUPACN,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5cc6c(cc5cc4c4cccc2c43)c2cccc3cccc6c32)cc1
InChIInChI=1S/C42H25N/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)40-21-20-34-39-25-28-23-37-32-17-8-11-26-10-7-16-31(41(26)32)36(37)22-27(28)24-38(39)33-18-9-19-35(40)42(33)34/h1-25H
InChIKeyIWNPALJXSZUFKY-UHFFFAOYSA-N
MW543.67 g/mol
LogP12.10
Rot. Bonds3

About N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine

N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine (PubChem CID 23534519) has the molecular formula C42H25N and a molecular weight of 543.67 g/mol. Its IUPAC name is N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine.

Molecular Properties

Compound NameN,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
PubChem CID23534519
Molecular FormulaC42H25N
Molecular Weight543.67 g/mol
Exact Mass543.20
IUPAC NameN,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5cc6c(cc5cc4c4cccc2c43)c2cccc3cccc6c32)cc1
InChIInChI=1S/C42H25N/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)40-21-20-34-39-25-28-23-37-32-17-8-11-26-10-7-16-31(41(26)32)36(37)22-27(28)24-38(39)33-18-9-19-35(40)42(33)34/h1-25H
InChIKeyIWNPALJXSZUFKY-UHFFFAOYSA-N
XLogP12.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine with MolForge

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Related Compounds

3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
CID 23534517
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N,N-bis(3-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
CID 23534530
4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 59309126
4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine
CID 130193119
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine?
The IUPAC name of N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine (CID 23534519) is N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine.
What is the SMILES notation for N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine?
The canonical SMILES for N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine is c1ccc(N(c2ccccc2)c2ccc3c4cc5cc6c(cc5cc4c4cccc2c43)c2cccc3cccc6c32)cc1.
What is the InChIKey of N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine?
The InChIKey is IWNPALJXSZUFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)40-21-20-34-39-25-28-23-37-32-17-8-11-26-10-7-16-31(41(26)32)36(37)22-27(28)24-38(39)33-18-9-19-35(40)42(33)34/h1-25H.
What are the key properties of N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine?
N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine has a molecular weight of 543.67 g/mol, XLogP of 12.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine is sourced from PubChem (CID 23534519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).