N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine

C66H42N2 — CID 23568249

IUPACN,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c4c5c3cccc5c3cccc5c(N(c6ccccc6)c6ccccc6)c6ccccc6c4c53)c3ccccc23)cc1
InChIInChI=1S/C66H42N2/c1-5-23-43(24-6-1)67(44-25-7-2-8-26-44)65-54-36-18-15-33-51(54)59(52-34-16-19-37-55(52)65)60-47-31-13-14-32-50(47)63-61-48(39-21-41-57(60)61)49-40-22-42-58-62(49)64(63)53-35-17-20-38-56(53)66(58)68(45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-42H
InChIKeyXNNXXIIBPLBTRS-UHFFFAOYSA-N
MW863.08 g/mol
LogP18.96
Rot. Bonds7

About N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine

N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine (PubChem CID 23568249) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine.

Molecular Properties

Compound NameN,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
PubChem CID23568249
Molecular FormulaC66H42N2
Molecular Weight863.08 g/mol
Exact Mass862.33
IUPAC NameN,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c4c5c3cccc5c3cccc5c(N(c6ccccc6)c6ccccc6)c6ccccc6c4c53)c3ccccc23)cc1
InChIInChI=1S/C66H42N2/c1-5-23-43(24-6-1)67(44-25-7-2-8-26-44)65-54-36-18-15-33-51(54)59(52-34-16-19-37-55(52)65)60-47-31-13-14-32-50(47)63-61-48(39-21-41-57(60)61)49-40-22-42-58-62(49)64(63)53-35-17-20-38-56(53)66(58)68(45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-42H
InChIKeyXNNXXIIBPLBTRS-UHFFFAOYSA-N
XLogP18.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 11984452
16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
CID 89357431
3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol
CID 59738961
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
9-N,20-N-bis[4-(cyclohexylidenemethyl)phenyl]-9-N,20-N-diphenylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733566
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The IUPAC name of N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine (CID 23568249) is N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine.
What is the SMILES notation for N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The canonical SMILES for N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine is c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c4c5c3cccc5c3cccc5c(N(c6ccccc6)c6ccccc6)c6ccccc6c4c53)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
The InChIKey is XNNXXIIBPLBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-5-23-43(24-6-1)67(44-25-7-2-8-26-44)65-54-36-18-15-33-51(54)59(52-34-16-19-37-55(52)65)60-47-31-13-14-32-50(47)63-61-48(39-21-41-57(60)61)49-40-22-42-58-62(49)64(63)53-35-17-20-38-56(53)66(58)68(45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-42H.
What are the key properties of N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine?
N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine has a molecular weight of 863.08 g/mol, XLogP of 18.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine is sourced from PubChem (CID 23568249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).