10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine

C83H57N3 — CID 88555642

IUPAC10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4ccccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C83H57N3/c1-83(2)79-51-72(84(66-37-31-54-17-3-9-23-60(54)45-66)67-38-32-55-18-4-10-24-61(55)46-67)43-44-73(79)76-52-77-78(53-80(76)83)82(86(70-41-35-58-21-7-13-27-64(58)49-70)71-42-36-59-22-8-14-28-65(59)50-71)75-30-16-15-29-74(75)81(77)85(68-39-33-56-19-5-11-25-62(56)47-68)69-40-34-57-20-6-12-26-63(57)48-69/h3-53H,1-2H3
InChIKeyQFJTYENYGQCEKF-UHFFFAOYSA-N
MW1096.39 g/mol
LogP23.63
Rot. Bonds9

About 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine

10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine (PubChem CID 88555642) has the molecular formula C83H57N3 and a molecular weight of 1096.39 g/mol. Its IUPAC name is 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine.

Molecular Properties

Compound Name10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine
PubChem CID88555642
Molecular FormulaC83H57N3
Molecular Weight1096.39 g/mol
Exact Mass1095.46
IUPAC Name10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4ccccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C83H57N3/c1-83(2)79-51-72(84(66-37-31-54-17-3-9-23-60(54)45-66)67-38-32-55-18-4-10-24-61(55)46-67)43-44-73(79)76-52-77-78(53-80(76)83)82(86(70-41-35-58-21-7-13-27-64(58)49-70)71-42-36-59-22-8-14-28-65(59)50-71)75-30-16-15-29-74(75)81(77)85(68-39-33-56-19-5-11-25-62(56)47-68)69-40-34-57-20-6-12-26-63(57)48-69/h3-53H,1-2H3
InChIKeyQFJTYENYGQCEKF-UHFFFAOYSA-N
XLogP23.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.39
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine with MolForge

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Related Compounds

10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555768
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931
10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555624
7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555720
14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555565
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-bis(9,9'-spirobi[fluorene]-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555492
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine?
The IUPAC name of 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine (CID 88555642) is 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine.
What is the SMILES notation for 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine?
The canonical SMILES for 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine is CC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4ccccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3cc21.
What is the InChIKey of 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine?
The InChIKey is QFJTYENYGQCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H57N3/c1-83(2)79-51-72(84(66-37-31-54-17-3-9-23-60(54)45-66)67-38-32-55-18-4-10-24-61(55)46-67)43-44-73(79)76-52-77-78(53-80(76)83)82(86(70-41-35-58-21-7-13-27-64(58)49-70)71-42-36-59-22-8-14-28-65(59)50-71)75-30-16-15-29-74(75)81(77)85(68-39-33-56-19-5-11-25-62(56)47-68)69-40-34-57-20-6-12-26-63(57)48-69/h3-53H,1-2H3.
What are the key properties of 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine?
10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine has a molecular weight of 1096.39 g/mol, XLogP of 23.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine is sourced from PubChem (CID 88555642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).