N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine

C44H43N — CID 123412117

IUPACN,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine
SMILESCc1ccc(N(c2ccc(C)cc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)C2=CCCC=C2C4(C)C)c(C)c1
InChIInChI=1S/C44H43N/c1-26-17-19-39(28(3)21-26)45(40-20-18-27(2)22-29(40)4)41-25-38-42(32-15-10-9-14-31(32)41)34-24-36-33(23-37(34)44(38,7)8)30-13-11-12-16-35(30)43(36,5)6/h9-10,13-25H,11-12H2,1-8H3
InChIKeyQFVODPAHNRCTMH-UHFFFAOYSA-N
MW585.84 g/mol
LogP12.24
Rot. Bonds3

About N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine

N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine (PubChem CID 123412117) has the molecular formula C44H43N and a molecular weight of 585.84 g/mol. Its IUPAC name is N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine.

Molecular Properties

Compound NameN,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine
PubChem CID123412117
Molecular FormulaC44H43N
Molecular Weight585.84 g/mol
Exact Mass585.34
IUPAC NameN,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine
SMILESCc1ccc(N(c2ccc(C)cc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)C2=CCCC=C2C4(C)C)c(C)c1
InChIInChI=1S/C44H43N/c1-26-17-19-39(28(3)21-26)45(40-20-18-27(2)22-29(40)4)41-25-38-42(32-15-10-9-14-31(32)41)34-24-36-33(23-37(34)44(38,7)8)30-13-11-12-16-35(30)43(36,5)6/h9-10,13-25H,11-12H2,1-8H3
InChIKeyQFVODPAHNRCTMH-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.84
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine with MolForge

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Related Compounds

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14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
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9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
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9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
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CID 59595492
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
N,N-bis[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine?
The IUPAC name of N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine (CID 123412117) is N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine.
What is the SMILES notation for N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine?
The canonical SMILES for N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine is Cc1ccc(N(c2ccc(C)cc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)C2=CCCC=C2C4(C)C)c(C)c1.
What is the InChIKey of N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine?
The InChIKey is QFVODPAHNRCTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N/c1-26-17-19-39(28(3)21-26)45(40-20-18-27(2)22-29(40)4)41-25-38-42(32-15-10-9-14-31(32)41)34-24-36-33(23-37(34)44(38,7)8)30-13-11-12-16-35(30)43(36,5)6/h9-10,13-25H,11-12H2,1-8H3.
What are the key properties of N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine?
N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine has a molecular weight of 585.84 g/mol, XLogP of 12.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine is sourced from PubChem (CID 123412117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).