5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C61H40F2N2 — CID 121430962

IUPAC5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESFc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C61H40F2N2/c62-45-26-31-49(32-27-45)64(47-19-9-3-10-20-47)51-30-25-41-38-57-58(39-42(41)37-51)61(43-15-5-1-6-16-43,44-17-7-2-8-18-44)60-55-36-35-52(40-56(55)53-23-13-14-24-54(53)59(57)60)65(48-21-11-4-12-22-48)50-33-28-46(63)29-34-50/h1-40H
InChIKeyGLSBGBKZRRWZRU-UHFFFAOYSA-N
MW839.00 g/mol
LogP16.73
Rot. Bonds8

About 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 121430962) has the molecular formula C61H40F2N2 and a molecular weight of 839.00 g/mol. Its IUPAC name is 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

Compound Name5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
PubChem CID121430962
Molecular FormulaC61H40F2N2
Molecular Weight839.00 g/mol
Exact Mass838.32
IUPAC Name5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESFc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C61H40F2N2/c62-45-26-31-49(32-27-45)64(47-19-9-3-10-20-47)51-30-25-41-38-57-58(39-42(41)37-51)61(43-15-5-1-6-16-43,44-17-7-2-8-18-44)60-55-36-35-52(40-56(55)53-23-13-14-24-54(53)59(57)60)65(48-21-11-4-12-22-48)50-33-28-46(63)29-34-50/h1-40H
InChIKeyGLSBGBKZRRWZRU-UHFFFAOYSA-N
XLogP16.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.00
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,20-N-bis(2,5-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430958
5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594439
5-N',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 137492842
5-N,18-N-bis(4-methylphenyl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594459
8-N,8-N,23-N,23-N,13,13,28,28-octakis-phenylheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361342
9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 160791798
N-(3,5-dimethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137494337
5-N,18-N-bis(4-fluorophenyl)-21,21-dimethyl-5-N,18-N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594481
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137494338
N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
CID 137493781
25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725639
25,25-diphenyl-20-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725874

Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The IUPAC name of 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 121430962) is 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.
What is the SMILES notation for 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The canonical SMILES for 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is Fc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The InChIKey is GLSBGBKZRRWZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40F2N2/c62-45-26-31-49(32-27-45)64(47-19-9-3-10-20-47)51-30-25-41-38-57-58(39-42(41)37-51)61(43-15-5-1-6-16-43,44-17-7-2-8-18-44)60-55-36-35-52(40-56(55)53-23-13-14-24-54(53)59(57)60)65(48-21-11-4-12-22-48)50-33-28-46(63)29-34-50/h1-40H.
What are the key properties of 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 839.00 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 121430962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).