10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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

C77H57N3 — CID 88555573

IUPAC10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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
SMILESCC1(C)c2ccccc2-c2cc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4-c4ccccc4)c3cc21
InChIInChI=1S/C77H57N3/c1-77(2)70-45-25-21-44-64(70)66-52-68-69(53-71(66)77)75(79(58-37-17-7-18-38-58)73-47-27-23-42-62(73)55-31-11-4-12-32-55)65-50-49-60(78(57-35-15-6-16-36-57)72-46-26-22-41-61(72)54-29-9-3-10-30-54)51-67(65)76(68)80(59-39-19-8-20-40-59)74-48-28-24-43-63(74)56-33-13-5-14-34-56/h3-53H,1-2H3
InChIKeyLVNPLHOUHCXCPV-UHFFFAOYSA-N
MW1024.32 g/mol
LogP21.71
Rot. Bonds12

About 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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

10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 (PubChem CID 88555573) has the molecular formula C77H57N3 and a molecular weight of 1024.32 g/mol. Its IUPAC name is 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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.

Molecular Properties

Compound Name10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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
PubChem CID88555573
Molecular FormulaC77H57N3
Molecular Weight1024.32 g/mol
Exact Mass1023.46
IUPAC Name10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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
SMILESCC1(C)c2ccccc2-c2cc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4-c4ccccc4)c3cc21
InChIInChI=1S/C77H57N3/c1-77(2)70-45-25-21-44-64(70)66-52-68-69(53-71(66)77)75(79(58-37-17-7-18-38-58)73-47-27-23-42-62(73)55-31-11-4-12-32-55)65-50-49-60(78(57-35-15-6-16-36-57)72-46-26-22-41-61(72)54-29-9-3-10-30-54)51-67(65)76(68)80(59-39-19-8-20-40-59)74-48-28-24-43-63(74)56-33-13-5-14-34-56/h3-53H,1-2H3
InChIKeyLVNPLHOUHCXCPV-UHFFFAOYSA-N
XLogP21.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.32
LogP ≤ 521.71
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-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 with MolForge

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Related Compounds

10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-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 88555499
10,10-dimethyl-7-N,14-N,21-N-tris(2-phenylphenyl)-7-N,14-N,21-N-tris(3-phenylphenyl)pentacyclo[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 88555704
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
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
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
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
10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(2-phenylphenyl)-7-N,14-N,18-N,21-N-tetrathiophen-2-ylpentacyclo[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 88555736
N-[3-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)phenyl]-N,2-diphenylaniline
CID 164721630
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
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
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

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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?
The IUPAC name of 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 88555573) is 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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.
What is the SMILES notation for 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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?
The canonical SMILES for 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 is CC1(C)c2ccccc2-c2cc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4-c4ccccc4)c3cc21.
What is the InChIKey of 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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?
The InChIKey is LVNPLHOUHCXCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H57N3/c1-77(2)70-45-25-21-44-64(70)66-52-68-69(53-71(66)77)75(79(58-37-17-7-18-38-58)73-47-27-23-42-62(73)55-31-11-4-12-32-55)65-50-49-60(78(57-35-15-6-16-36-57)72-46-26-22-41-61(72)54-29-9-3-10-30-54)51-67(65)76(68)80(59-39-19-8-20-40-59)74-48-28-24-43-63(74)56-33-13-5-14-34-56/h3-53H,1-2H3.
What are the key properties of 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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?
10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 has a molecular weight of 1024.32 g/mol, XLogP of 21.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)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 is sourced from PubChem (CID 88555573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).