8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

C44H36N2 — CID 89065349

IUPAC8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESC=C1c2cccc3c2N2c4c1cc(N(c1ccccc1)c1ccc(-c5ccccc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C
InChIInChI=1S/C44H36N2/c1-28-34-18-12-19-36-40(34)46-41-35(28)26-33(27-39(41)44(4,5)38-21-13-20-37(42(38)46)43(36,2)3)45(31-16-10-7-11-17-31)32-24-22-30(23-25-32)29-14-8-6-9-15-29/h6-27H,1H2,2-5H3
InChIKeyXJHKUUQPMMHHOV-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.95
Rot. Bonds4

About 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 89065349) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID89065349
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESC=C1c2cccc3c2N2c4c1cc(N(c1ccccc1)c1ccc(-c5ccccc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C
InChIInChI=1S/C44H36N2/c1-28-34-18-12-19-36-40(34)46-41-35(28)26-33(27-39(41)44(4,5)38-21-13-20-37(42(38)46)43(36,2)3)45(31-16-10-7-11-17-31)32-24-22-30(23-25-32)29-14-8-6-9-15-29/h6-27H,1H2,2-5H3
InChIKeyXJHKUUQPMMHHOV-UHFFFAOYSA-N
XLogP11.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]aniline
CID 89074322
8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 158487565
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N-dinaphthalen-1-yl-6-(8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine
CID 89074309
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
5-N,11-N-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-5-N,11-N-bis(4-methylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70885926
5-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-14,14-dimethyl-8-methylidene-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine
CID 89065451
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (CID 89065349) is 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is C=C1c2cccc3c2N2c4c1cc(N(c1ccccc1)c1ccc(-c5ccccc5)cc1)cc4C(C)(C)c1cccc(c12)C3(C)C.
What is the InChIKey of 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is XJHKUUQPMMHHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-28-34-18-12-19-36-40(34)46-41-35(28)26-33(27-39(41)44(4,5)38-21-13-20-37(42(38)46)43(36,2)3)45(31-16-10-7-11-17-31)32-24-22-30(23-25-32)29-14-8-6-9-15-29/h6-27H,1H2,2-5H3.
What are the key properties of 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 592.79 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-22-methylidene-N-phenyl-N-(4-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 89065349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).