8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine

C48H42N2 — CID 70885481

IUPAC8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine
SMILESCC1(C)C2=C3C(CC=C2)C(C)(C)c2cc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)ccc2N3c2ccccc21
InChIInChI=1S/C48H42N2/c1-47(2)39-24-12-14-28-44(39)50-45-30-29-37(32-42(45)48(3,4)41-26-16-25-40(47)46(41)50)49(36-22-15-21-35(31-36)33-17-7-5-8-18-33)43-27-13-11-23-38(43)34-19-9-6-10-20-34/h5-25,27-32,41H,26H2,1-4H3
InChIKeyZFFXZQCROKIDPC-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.04
Rot. Bonds5

About 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine

8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine (PubChem CID 70885481) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine
PubChem CID70885481
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine
SMILESCC1(C)C2=C3C(CC=C2)C(C)(C)c2cc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)ccc2N3c2ccccc21
InChIInChI=1S/C48H42N2/c1-47(2)39-24-12-14-28-44(39)50-45-30-29-37(32-42(45)48(3,4)41-26-16-25-40(47)46(41)50)49(36-22-15-21-35(31-36)33-17-7-5-8-18-33)43-27-13-11-23-38(43)34-19-9-6-10-20-34/h5-25,27-32,41H,26H2,1-4H3
InChIKeyZFFXZQCROKIDPC-UHFFFAOYSA-N
XLogP13.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine with MolForge

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Related Compounds

N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-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-amine
CID 70892967
8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene
CID 70885309
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
N-[4-(8,14-dioxa-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]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 157243923
13,13-dimethyl-N,N-bis(2-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892943
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
CID 153357613
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine?
The IUPAC name of 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine (CID 70885481) is 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine.
What is the SMILES notation for 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine?
The canonical SMILES for 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine is CC1(C)C2=C3C(CC=C2)C(C)(C)c2cc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)ccc2N3c2ccccc21.
What is the InChIKey of 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine?
The InChIKey is ZFFXZQCROKIDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-47(2)39-24-12-14-28-44(39)50-45-30-29-37(32-42(45)48(3,4)41-26-16-25-40(47)46(41)50)49(36-22-15-21-35(31-36)33-17-7-5-8-18-33)43-27-13-11-23-38(43)34-19-9-6-10-20-34/h5-25,27-32,41H,26H2,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine?
8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine has a molecular weight of 646.88 g/mol, XLogP of 13.04, 5 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-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine is sourced from PubChem (CID 70885481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).