12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine

C52H44N2 — CID 123655872

IUPAC12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine
SMILESCC1(C)C2=C(c3cc4c(cc31)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C4(C)C)C1CC=CC=C1C(N(c1ccccc1)c1ccccc1)=C2
InChIInChI=1S/C52H44N2/c1-51(2)45-31-39(53(35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)54(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-27,29-34,42H,28H2,1-4H3
InChIKeyNBFGJDDCIZWVAL-UHFFFAOYSA-N
MW696.94 g/mol
LogP13.75
Rot. Bonds6

About 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine

12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine (PubChem CID 123655872) has the molecular formula C52H44N2 and a molecular weight of 696.94 g/mol. Its IUPAC name is 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine.

Molecular Properties

Compound Name12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine
PubChem CID123655872
Molecular FormulaC52H44N2
Molecular Weight696.94 g/mol
Exact Mass696.35
IUPAC Name12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine
SMILESCC1(C)C2=C(c3cc4c(cc31)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C4(C)C)C1CC=CC=C1C(N(c1ccccc1)c1ccccc1)=C2
InChIInChI=1S/C52H44N2/c1-51(2)45-31-39(53(35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)54(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-27,29-34,42H,28H2,1-4H3
InChIKeyNBFGJDDCIZWVAL-UHFFFAOYSA-N
XLogP13.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.94
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine with MolForge

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Related Compounds

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7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
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2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
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4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine?
The IUPAC name of 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine (CID 123655872) is 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine.
What is the SMILES notation for 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine?
The canonical SMILES for 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine is CC1(C)C2=C(c3cc4c(cc31)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C4(C)C)C1CC=CC=C1C(N(c1ccccc1)c1ccccc1)=C2.
What is the InChIKey of 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine?
The InChIKey is NBFGJDDCIZWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2/c1-51(2)45-31-39(53(35-19-9-5-10-20-35)36-21-11-6-12-22-36)29-30-40(45)43-32-47-44(33-46(43)51)50-42-28-18-17-27-41(42)49(34-48(50)52(47,3)4)54(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-27,29-34,42H,28H2,1-4H3.
What are the key properties of 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine?
12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine has a molecular weight of 696.94 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine is sourced from PubChem (CID 123655872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).