2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene

C28H21N — CID 90367815

IUPAC2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
SMILESCc1ccc(-c2cc3cccc4cc(-c5ccc(C)cc5)c5ccc2n5c34)cc1
InChIInChI=1S/C28H21N/c1-18-6-10-20(11-7-18)24-16-22-4-3-5-23-17-25(21-12-8-19(2)9-13-21)27-15-14-26(24)29(27)28(22)23/h3-17H,1-2H3
InChIKeyOBWFKXMSFABGQZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.63
Rot. Bonds2

About 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene

2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene (PubChem CID 90367815) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene.

Molecular Properties

Compound Name2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
PubChem CID90367815
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
SMILESCc1ccc(-c2cc3cccc4cc(-c5ccc(C)cc5)c5ccc2n5c34)cc1
InChIInChI=1S/C28H21N/c1-18-6-10-20(11-7-18)24-16-22-4-3-5-23-17-25(21-12-8-19(2)9-13-21)27-15-14-26(24)29(27)28(22)23/h3-17H,1-2H3
InChIKeyOBWFKXMSFABGQZ-UHFFFAOYSA-N
XLogP7.63
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,10-ditert-butyl-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
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9-[2-(4-methylphenyl)phenyl]phenanthrene
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7,10-dimethyl-8-(4-methylphenyl)fluoranthene
CID 12713914
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane
CID 145354871
24-(3-phenanthren-9-ylphenyl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574671

Frequently Asked Questions

What is the IUPAC name of 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene?
The IUPAC name of 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene (CID 90367815) is 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene.
What is the SMILES notation for 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene?
The canonical SMILES for 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene is Cc1ccc(-c2cc3cccc4cc(-c5ccc(C)cc5)c5ccc2n5c34)cc1.
What is the InChIKey of 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene?
The InChIKey is OBWFKXMSFABGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-18-6-10-20(11-7-18)24-16-22-4-3-5-23-17-25(21-12-8-19(2)9-13-21)27-15-14-26(24)29(27)28(22)23/h3-17H,1-2H3.
What are the key properties of 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene?
2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene has a molecular weight of 371.48 g/mol, XLogP of 7.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene is sourced from PubChem (CID 90367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).